4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline

C58H40N2 — CID 134552398

IUPAC4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-14-41(15-5-1)44-24-26-47(27-25-44)57-53-21-11-10-20-48(53)40-55-54-22-12-13-23-56(54)60(58(55)57)52-38-36-51(37-39-52)59(49-32-28-45(29-33-49)42-16-6-2-7-17-42)50-34-30-46(31-35-50)43-18-8-3-9-19-43/h1-40H
InChIKeyHUFWHZMNXQQMCG-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline

4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline (PubChem CID 134552398) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
PubChem CID134552398
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c34)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-14-41(15-5-1)44-24-26-47(27-25-44)57-53-21-11-10-20-48(53)40-55-54-22-12-13-23-56(54)60(58(55)57)52-38-36-51(37-39-52)59(49-32-28-45(29-33-49)42-16-6-2-7-17-42)50-34-30-46(31-35-50)43-18-8-3-9-19-43/h1-40H
InChIKeyHUFWHZMNXQQMCG-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-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
CID 134552399
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
9,9-dimethyl-N-phenyl-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]fluoren-2-amine
CID 134552429
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
N-(4-naphthalen-2-ylphenyl)-N-phenyl-11-(4-phenylphenyl)benzo[a]carbazol-3-amine
CID 155034335
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-benzo[a]carbazol-11-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 167038330
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline (CID 134552398) is 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline is c1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)c34)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline?
The InChIKey is HUFWHZMNXQQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-14-41(15-5-1)44-24-26-47(27-25-44)57-53-21-11-10-20-48(53)40-55-54-22-12-13-23-56(54)60(58(55)57)52-38-36-51(37-39-52)59(49-32-28-45(29-33-49)42-16-6-2-7-17-42)50-34-30-46(31-35-50)43-18-8-3-9-19-43/h1-40H.
What are the key properties of 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline?
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]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 4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline is sourced from PubChem (CID 134552398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).