1.0 2010-04-08 22:15:08 UTC 2019-11-26 03:19:11 UTC FDB020603 Murrastifoline F Alkaloid from roots of Murraya koenigii (curryleaf tree). Murrastifoline F is found in herbs and spices. 1,1'-Dimethoxy-3,3'-dimethyl-4,9'-bi-9H-carbazole, 9CI C28H24N2O2 420.5024 420.183778022 1-methoxy-9-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-9H-carbazole 1-methoxy-9-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methylcarbazole 155519-85-0 COC1=CC(C)=CC2=C1N(C1=CC=CC=C21)C1=C2C(NC3=CC=CC=C23)=C(OC)C=C1C InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3 OBQIZMYFDVTSTF-UHFFFAOYSA-N belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Carbazoles Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Indoles Methoxyanilines Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Carbazole Ether Heteroaromatic compound Hydrocarbon derivative Indole Methoxyaniline Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 6.54 ALOGPS logs -5.62 ALOGPS solubility 1.02e-03 g/l ALOGPS logp 6.38 ChemAxon pka_strongest_acidic 14.08 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac 1-methoxy-9-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-9H-carbazole ChemAxon average_mass 420.5024 ChemAxon mono_mass 420.183778022 ChemAxon smiles COC1=CC(C)=CC2=C1N(C1=CC=CC=C21)C1=C2C(NC3=CC=CC=C23)=C(OC)C=C1C ChemAxon formula C28H24N2O2 ChemAxon inchi InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3 ChemAxon inchikey OBQIZMYFDVTSTF-UHFFFAOYSA-N ChemAxon polar_surface_area 39.18 ChemAxon refractivity 138.89 ChemAxon polarizability 47.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19066 Specdb::CMs 151593 Specdb::MsMs 10286 Specdb::MsMs 10287 Specdb::MsMs 10288 Specdb::MsMs 16958 Specdb::MsMs 16959 Specdb::MsMs 16960 Specdb::MsMs 2440636 Specdb::MsMs 2440637 Specdb::MsMs 2440638 Specdb::MsMs 2525544 Specdb::MsMs 2525545 Specdb::MsMs 2525546 HMDB40787 #<Reference:0x000055ce3249a880> Herbs and Spices Unknown generic