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

C58H40N2 — CID 166660559

IUPAC3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-15-41(16-5-1)43-29-34-50(35-30-43)59(51-36-31-44(32-37-51)47-21-12-20-46(39-47)42-17-6-2-7-18-42)52-25-13-22-48(40-52)54-27-14-28-55-58(54)57-53-26-11-10-19-45(53)33-38-56(57)60(55)49-23-8-3-9-24-49/h1-40H
InChIKeyMQZLGEGAONXFTK-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

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

3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 166660559) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID166660559
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-15-41(16-5-1)43-29-34-50(35-30-43)59(51-36-31-44(32-37-51)47-21-12-20-46(39-47)42-17-6-2-7-18-42)52-25-13-22-48(40-52)54-27-14-28-55-58(54)57-53-26-11-10-19-45(53)33-38-56(57)60(55)49-23-8-3-9-24-49/h1-40H
InChIKeyMQZLGEGAONXFTK-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-(3,5-diphenylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)aniline
CID 166660549
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
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
N-(4-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552

Frequently Asked Questions

What is the IUPAC name of 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 166660559) is 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4cccc5c4c4c6ccccc6ccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is MQZLGEGAONXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-15-41(16-5-1)43-29-34-50(35-30-43)59(51-36-31-44(32-37-51)47-21-12-20-46(39-47)42-17-6-2-7-18-42)52-25-13-22-48(40-52)54-27-14-28-55-58(54)57-53-26-11-10-19-45(53)33-38-56(57)60(55)49-23-8-3-9-24-49/h1-40H.
What are the key properties of 3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline?
3-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-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-(7-phenylbenzo[c]carbazol-11-yl)-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 166660559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).