N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C58H40N2 — CID 167322316

IUPACN-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-13-41(14-4-1)44-27-34-49(35-28-44)59(50-36-29-45(30-37-50)42-15-5-2-6-16-42)51-38-31-46(32-39-51)43-23-25-48(26-24-43)52-18-9-11-21-55(52)60-56-22-12-10-20-54(56)58-53-19-8-7-17-47(53)33-40-57(58)60/h1-40H
InChIKeyOGYDCDIEGWGKOX-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 167322316) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID167322316
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-3-13-41(14-4-1)44-27-34-49(35-28-44)59(50-36-29-45(30-37-50)42-15-5-2-6-16-42)51-38-31-46(32-39-51)43-23-25-48(26-24-43)52-18-9-11-21-55(52)60-56-22-12-10-20-54(56)58-53-19-8-7-17-47(53)33-40-57(58)60/h1-40H
InChIKeyOGYDCDIEGWGKOX-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-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163
N-[4-[2-(11-naphthalen-1-ylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 177100968
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
4-phenyl-N-[4-[5-(1-phenylbenzo[c]carbazol-7-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 177100999
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
2-naphthalen-1-yl-N-[4-[2-(1-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 177101126
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 167322316) is N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccccc5-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is OGYDCDIEGWGKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-3-13-41(14-4-1)44-27-34-49(35-28-44)59(50-36-29-45(30-37-50)42-15-5-2-6-16-42)51-38-31-46(32-39-51)43-23-25-48(26-24-43)52-18-9-11-21-55(52)60-56-22-12-10-20-54(56)58-53-19-8-7-17-47(53)33-40-57(58)60/h1-40H.
What are the key properties of N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)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 N-[4-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167322316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).