3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline

C46H32N2 — CID 168809207

IUPAC3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(37-18-5-2-6-19-37)39-20-13-17-36(30-39)44-32-40(31-35-16-7-8-21-41(35)44)48-45-24-11-9-22-42(45)43-23-10-12-25-46(43)48/h1-32H
InChIKeyWQLGTIHQKOYSNO-UHFFFAOYSA-N
MW612.78 g/mol
LogP12.74
Rot. Bonds6

About 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline

3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 168809207) has the molecular formula C46H32N2 and a molecular weight of 612.78 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID168809207
Molecular FormulaC46H32N2
Molecular Weight612.78 g/mol
Exact Mass612.26
IUPAC Name3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(37-18-5-2-6-19-37)39-20-13-17-36(30-39)44-32-40(31-35-16-7-8-21-41(35)44)48-45-24-11-9-22-42(45)43-23-10-12-25-46(43)48/h1-32H
InChIKeyWQLGTIHQKOYSNO-UHFFFAOYSA-N
XLogP12.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline 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

N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 168809328
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 168809283
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168809217
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
N-(4-carbazol-9-ylphenyl)-3-naphthalen-1-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501687
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
3-benzo[b]carbazol-5-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167038444
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 168809308
3-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 163482602
N-[3-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 168809274
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline (CID 168809207) is 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is WQLGTIHQKOYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2/c1-3-14-33(15-4-1)34-26-28-38(29-27-34)47(37-18-5-2-6-19-37)39-20-13-17-36(30-39)44-32-40(31-35-16-7-8-21-41(35)44)48-45-24-11-9-22-42(45)43-23-10-12-25-46(43)48/h1-32H.
What are the key properties of 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline?
3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 612.78 g/mol, XLogP of 12.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylnaphthalen-1-yl)-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 168809207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).