3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C58H40N2 — CID 166660260

IUPAC3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-14-41(15-5-1)43-26-28-44(29-27-43)46-32-37-51(38-33-46)59(50-35-30-45(31-36-50)42-16-6-2-7-17-42)52-22-12-19-48(40-52)53-24-13-25-56-57(53)55-39-34-47-18-10-11-23-54(47)58(55)60(56)49-20-8-3-9-21-49/h1-40H
InChIKeyAAJJAYFJYMTJQB-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 166660260) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID166660260
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-14-41(15-5-1)43-26-28-44(29-27-43)46-32-37-51(38-33-46)59(50-35-30-45(31-36-50)42-16-6-2-7-17-42)52-22-12-19-48(40-52)53-24-13-25-56-57(53)55-39-34-47-18-10-11-23-54(47)58(55)60(56)49-20-8-3-9-21-49/h1-40H
InChIKeyAAJJAYFJYMTJQB-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

3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
CID 167195327
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
3-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;3-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-[3-(2-phenylphenyl)phenyl]phenyl]aniline
CID 162113105
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660559
N-[4-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-[3-(11-phenylbenzo[a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 167195599
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520

Frequently Asked Questions

What is the IUPAC name of 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 166660260) is 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc(-c5cccc6c5c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is AAJJAYFJYMTJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-14-41(15-5-1)43-26-28-44(29-27-43)46-32-37-51(38-33-46)59(50-35-30-45(31-36-50)42-16-6-2-7-17-42)52-22-12-19-48(40-52)53-24-13-25-56-57(53)55-39-34-47-18-10-11-23-54(47)58(55)60(56)49-20-8-3-9-21-49/h1-40H.
What are the key properties of 3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-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-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).