6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine

C46H33N3 — CID 177117021

IUPAC6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc(Nc6cccc7ccccc67)ccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C46H33N3/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)48(37-17-6-2-7-18-37)40-28-29-42-43-31-36(47-44-22-12-16-35-15-10-11-21-41(35)44)25-30-45(43)49(46(42)32-40)38-19-8-3-9-20-38/h1-32,47H
InChIKeyLCGJURHQKGWNBC-UHFFFAOYSA-N
MW627.79 g/mol
LogP12.82
Rot. Bonds7

About 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine

6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine (PubChem CID 177117021) has the molecular formula C46H33N3 and a molecular weight of 627.79 g/mol. Its IUPAC name is 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine.

Molecular Properties

Compound Name6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine
PubChem CID177117021
Molecular FormulaC46H33N3
Molecular Weight627.79 g/mol
Exact Mass627.27
IUPAC Name6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc(Nc6cccc7ccccc67)ccc5n(-c5ccccc5)c4c3)cc2)cc1
InChIInChI=1S/C46H33N3/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)48(37-17-6-2-7-18-37)40-28-29-42-43-31-36(47-44-22-12-16-35-15-10-11-21-41(35)44)25-30-45(43)49(46(42)32-40)38-19-8-3-9-20-38/h1-32,47H
InChIKeyLCGJURHQKGWNBC-UHFFFAOYSA-N
XLogP12.82
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.79
LogP ≤ 512.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
2-(4-bromophenyl)-9-phenylcarbazole;9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine;9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 160525115
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
N-(4-naphthalen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010023
2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;3-(2-carbazol-9-ylcarbazol-9-yl)-N-phenyl-N-(4-phenylphenyl)aniline;2-carbazol-9-yl-9-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenylcarbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-amine;N,N-diphenyl-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine;N-phenyl-9-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)carbazol-2-amine;N-phenyl-N-(4-phenylphenyl)-9-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 158775841
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005

Frequently Asked Questions

What is the IUPAC name of 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine?
The IUPAC name of 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine (CID 177117021) is 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine.
What is the SMILES notation for 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine?
The canonical SMILES for 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cc(Nc6cccc7ccccc67)ccc5n(-c5ccccc5)c4c3)cc2)cc1.
What is the InChIKey of 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine?
The InChIKey is LCGJURHQKGWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N3/c1-4-13-33(14-5-1)34-23-26-39(27-24-34)48(37-17-6-2-7-18-37)40-28-29-42-43-31-36(47-44-22-12-16-35-15-10-11-21-41(35)44)25-30-45(43)49(46(42)32-40)38-19-8-3-9-20-38/h1-32,47H.
What are the key properties of 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine?
6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine has a molecular weight of 627.79 g/mol, XLogP of 12.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-naphthalen-1-yl-2-N,9-diphenyl-2-N-(4-phenylphenyl)carbazole-2,6-diamine is sourced from PubChem (CID 177117021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).