(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole

C69H61N3O2 — CID 157230610

IUPAC(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole
SMILESCOc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2C
InChIInChI=1S/2C27H23N.C15H15NO2/c1-18-4-8-20(9-5-18)22-12-14-26-24(16-22)25-17-23(13-15-27(25)28(26)3)21-10-6-19(2)7-11-21;1-18-8-4-6-10-22(18)20-12-14-26-24(16-20)25-17-21(13-15-27(25)28(26)3)23-11-7-5-9-19(23)2;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16/h2*4-17H,1-3H3;3-8,17H,9H2,1-2H3
InChIKeyAUBCEMXGROZZKE-UHFFFAOYSA-N
MW964.27 g/mol
LogP17.40
Rot. Bonds6

About (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole

(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole (PubChem CID 157230610) has the molecular formula C69H61N3O2 and a molecular weight of 964.27 g/mol. Its IUPAC name is (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole.

Molecular Properties

Compound Name(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole
PubChem CID157230610
Molecular FormulaC69H61N3O2
Molecular Weight964.27 g/mol
Exact Mass963.48
IUPAC Name(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole
SMILESCOc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2C
InChIInChI=1S/2C27H23N.C15H15NO2/c1-18-4-8-20(9-5-18)22-12-14-26-24(16-22)25-17-23(13-15-27(25)28(26)3)21-10-6-19(2)7-11-21;1-18-8-4-6-10-22(18)20-12-14-26-24(16-20)25-17-21(13-15-27(25)28(26)3)23-11-7-5-9-19(23)2;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16/h2*4-17H,1-3H3;3-8,17H,9H2,1-2H3
InChIKeyAUBCEMXGROZZKE-UHFFFAOYSA-N
XLogP17.40
TPSA44.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.27
LogP ≤ 517.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 49796262
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7-methylbenzo[c]carbazol-2-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylbenzo[c]carbazol-2-amine;dihydrochloride
CID 49796275
8-methoxy-5-[9-(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186443
1-[4-[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]butyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 127051417
3-carbazol-9-yl-N-[2-[4-[2-[3-carbazol-9-ylpropyl(methyl)amino]ethyl]-2,5-dimethoxyphenyl]ethyl]-N-methylpropan-1-amine
CID 145956232
[1-methoxy-9-[(1-methoxy-9H-carbazol-3-yl)methyl]carbazol-3-yl]methanol
CID 23245461
3-Methyl-2-(4-methylphenyl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
CID 10204510
[3-[2-(4-Methoxyphenyl)ethynyl]-1,2-diphenyl-5-indolyl]methanol
CID 44142270
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7-methylbenzo[c]carbazol-3-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylbenzo[c]carbazol-3-amine;dihydrochloride
CID 49796264
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-6,7-dimethylbenzo[c]carbazol-2-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-6,7-dimethylbenzo[c]carbazol-2-amine;dihydrochloride
CID 49796274

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole?
The IUPAC name of (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole (CID 157230610) is (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole.
What is the SMILES notation for (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole?
The canonical SMILES for (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole is COc1ccc2c(c1)c1cc(CO)ccc1n2C.Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3C)cc1.Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C)ccc1n2C.
What is the InChIKey of (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole?
The InChIKey is AUBCEMXGROZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N.C15H15NO2/c1-18-4-8-20(9-5-18)22-12-14-26-24(16-22)25-17-23(13-15-27(25)28(26)3)21-10-6-19(2)7-11-21;1-18-8-4-6-10-22(18)20-12-14-26-24(16-20)25-17-21(13-15-27(25)28(26)3)23-11-7-5-9-19(23)2;1-16-14-5-3-10(9-17)7-12(14)13-8-11(18-2)4-6-15(13)16/h2*4-17H,1-3H3;3-8,17H,9H2,1-2H3.
What are the key properties of (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole?
(6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole has a molecular weight of 964.27 g/mol, XLogP of 17.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-9-methylcarbazol-3-yl)methanol;9-methyl-3,6-bis(2-methylphenyl)carbazole;9-methyl-3,6-bis(4-methylphenyl)carbazole is sourced from PubChem (CID 157230610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).