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

C58H40N2 — CID 166659620

IUPAC3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(-c4c5ccccc5cc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C58H40N2/c1-5-19-41(20-6-1)44-26-17-30-50(36-44)59(52-38-47(42-21-7-2-8-22-42)35-48(39-52)43-23-9-3-10-24-43)51-31-18-27-46(37-51)57-53-32-14-13-25-45(53)40-56-58(57)54-33-15-16-34-55(54)60(56)49-28-11-4-12-29-49/h1-40H
InChIKeyNNAVJZSUZHNUJK-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

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

3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 166659620) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID166659620
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(-c4c5ccccc5cc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C58H40N2/c1-5-19-41(20-6-1)44-26-17-30-50(36-44)59(52-38-47(42-21-7-2-8-22-42)35-48(39-52)43-23-9-3-10-24-43)51-31-18-27-46(37-51)57-53-32-14-13-25-45(53)40-56-58(57)54-33-15-16-34-55(54)60(56)49-28-11-4-12-29-49/h1-40H
InChIKeyNNAVJZSUZHNUJK-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-(5-phenylbenzo[b]carbazol-11-yl)-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 167194690
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167195423
N-(4-phenanthren-9-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]naphthalen-1-amine
CID 167195888
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
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
CID 167195663
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-3-(11-phenylbenzo[a]carbazol-6-yl)aniline
CID 166660311
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 167282085

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 166659620) is 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cccc(-c4c5ccccc5cc5c4c4ccccc4n5-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is NNAVJZSUZHNUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-5-19-41(20-6-1)44-26-17-30-50(36-44)59(52-38-47(42-21-7-2-8-22-42)35-48(39-52)43-23-9-3-10-24-43)51-31-18-27-46(37-51)57-53-32-14-13-25-45(53)40-56-58(57)54-33-15-16-34-55(54)60(56)49-28-11-4-12-29-49/h1-40H.
What are the key properties of 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline?
3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-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 3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-11-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 166659620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).