3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine

C40H35N3O4 — CID 118643164

IUPAC3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3[nH]c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H35N3O4/c1-44-33-15-5-27(6-16-33)42(28-7-17-34(45-2)18-8-28)31-13-23-39-37(25-31)38-26-32(14-24-40(38)41-39)43(29-9-19-35(46-3)20-10-29)30-11-21-36(47-4)22-12-30/h5-26,41H,1-4H3
InChIKeyRPIHBLGJOPSTMS-UHFFFAOYSA-N
MW621.74 g/mol
LogP10.30
Rot. Bonds10

About 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine (PubChem CID 118643164) has the molecular formula C40H35N3O4 and a molecular weight of 621.74 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine
PubChem CID118643164
Molecular FormulaC40H35N3O4
Molecular Weight621.74 g/mol
Exact Mass621.26
IUPAC Name3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3[nH]c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H35N3O4/c1-44-33-15-5-27(6-16-33)42(28-7-17-34(45-2)18-8-28)31-13-23-39-37(25-31)38-26-32(14-24-40(38)41-39)43(29-9-19-35(46-3)20-10-29)30-11-21-36(47-4)22-12-30/h5-26,41H,1-4H3
InChIKeyRPIHBLGJOPSTMS-UHFFFAOYSA-N
XLogP10.30
TPSA59.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.74
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine with MolForge

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Related Compounds

5-Methoxy-2-phenylindole
CID 292850
5-methoxy-2-phenyl-N,N-dimethyltryptamine
CID 6918515
3-Methoxy-9H-carbazole
CID 519621
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 9881478
Indoxole
CID 21129
5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 15619873
3,6-Dimethoxy-9H-carbazole
CID 644464
2,7-Dimethoxy-4,5-diphenyl-9H-carbazole
CID 139596138
2-[(2-Methoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 791221
3-{[(4-methoxyphenyl)amino]methylene}-1,3-dihydro-2H-indol-2-one
CID 2859794
6-Methoxy-1,2,3,4-tetrahydrocarbazole
CID 10798130
(6-Methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-dimethyl-amine
CID 12361789

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine (CID 118643164) is 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine is COc1ccc(N(c2ccc(OC)cc2)c2ccc3[nH]c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4c3c2)cc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine?
The InChIKey is RPIHBLGJOPSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N3O4/c1-44-33-15-5-27(6-16-33)42(28-7-17-34(45-2)18-8-28)31-13-23-39-37(25-31)38-26-32(14-24-40(38)41-39)43(29-9-19-35(46-3)20-10-29)30-11-21-36(47-4)22-12-30/h5-26,41H,1-4H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine has a molecular weight of 621.74 g/mol, XLogP of 10.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine is sourced from PubChem (CID 118643164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).