3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C58H40N2 — CID 167195423

IUPAC3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-16-41(17-5-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)59(51-25-14-21-46(38-51)42-18-6-2-7-19-42)52-26-15-22-48(39-52)57-53-27-11-10-20-47(53)40-56-58(57)54-28-12-13-29-55(54)60(56)49-23-8-3-9-24-49/h1-40H
InChIKeyMLJXRJPQSKOAMV-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167195423) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167195423
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-16-41(17-5-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)59(51-25-14-21-46(38-51)42-18-6-2-7-19-42)52-26-15-22-48(39-52)57-53-27-11-10-20-47(53)40-56-58(57)54-28-12-13-29-55(54)60(56)49-23-8-3-9-24-49/h1-40H
InChIKeyMLJXRJPQSKOAMV-UHFFFAOYSA-N
XLogP16.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]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

3-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 167194690
3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 166659620
N-(4-phenanthren-9-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]naphthalen-1-amine
CID 167195888
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
3-cyclohexa-2,4-dien-1-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]aniline
CID 166659713
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
N-(4-carbazol-9-ylphenyl)-3-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146580585

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167195423) is 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc(-c5c6ccccc6cc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MLJXRJPQSKOAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-16-41(17-5-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)59(51-25-14-21-46(38-51)42-18-6-2-7-19-42)52-26-15-22-48(39-52)57-53-27-11-10-20-47(53)40-56-58(57)54-28-12-13-29-55(54)60(56)49-23-8-3-9-24-49/h1-40H.
What are the key properties of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 764.97 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167195423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).