3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

C58H40N2 — CID 166659718

IUPAC3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-41(18-5-1)44-23-14-27-50(37-44)59(49-35-33-43(34-36-49)53-30-13-12-29-52(53)42-19-6-2-7-20-42)51-28-15-24-47(38-51)54-31-16-32-56-58(54)55-39-45-21-10-11-22-46(45)40-57(55)60(56)48-25-8-3-9-26-48/h1-40H
InChIKeyNKHRTWSEEGZIGA-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline

3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 166659718) 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-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID166659718
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-41(18-5-1)44-23-14-27-50(37-44)59(49-35-33-43(34-36-49)53-30-13-12-29-52(53)42-19-6-2-7-20-42)51-28-15-24-47(38-51)54-31-16-32-56-58(54)55-39-45-21-10-11-22-46(45)40-57(55)60(56)48-25-8-3-9-26-48/h1-40H
InChIKeyNKHRTWSEEGZIGA-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

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Related Compounds

N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659728
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-(4-phenanthren-9-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 166659742
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline (CID 166659718) is 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is NKHRTWSEEGZIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-17-41(18-5-1)44-23-14-27-50(37-44)59(49-35-33-43(34-36-49)53-30-13-12-29-52(53)42-19-6-2-7-20-42)51-28-15-24-47(38-51)54-31-16-32-56-58(54)55-39-45-21-10-11-22-46(45)40-57(55)60(56)48-25-8-3-9-26-48/h1-40H.
What are the key properties of 3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline?
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-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-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166659718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).