N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

C58H40N2 — CID 134396685

IUPACN-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-15-41(16-5-1)42-27-34-49(35-28-42)59(50-36-29-45(30-37-50)53-26-14-21-43-17-10-12-24-52(43)53)51-38-31-46(32-39-51)56-57-54-25-13-11-18-44(54)33-40-55(57)60(48-22-8-3-9-23-48)58(56)47-19-6-2-7-20-47/h1-40H
InChIKeyVQWNIOAWSGPYRA-UHFFFAOYSA-N
MW764.97 g/mol
LogP16.07
Rot. Bonds8

About N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 134396685) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID134396685
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC NameN-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H40N2/c1-4-15-41(16-5-1)42-27-34-49(35-28-42)59(50-36-29-45(30-37-50)53-26-14-21-43-17-10-12-24-52(43)53)51-38-31-46(32-39-51)56-57-54-25-13-11-18-44(54)33-40-55(57)60(48-22-8-3-9-23-48)58(56)47-19-6-2-7-20-47/h1-40H
InChIKeyVQWNIOAWSGPYRA-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-naphthalen-1-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167196262
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166660520
N,4-diphenyl-N-[4-(11-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 177101209
4-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59282036
N-[4-(3-benzo[c]carbazol-7-yl-2-phenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170271942
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167195951
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(10-phenylanthracen-9-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160771510
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-3-yl)aniline
CID 170177898
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(2-phenylphenyl)benzo[c]carbazol-10-amine
CID 166847541
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 134396685) is N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4c(-c5ccccc5)n(-c5ccccc5)c5ccc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is VQWNIOAWSGPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-15-41(16-5-1)42-27-34-49(35-28-42)59(50-36-29-45(30-37-50)53-26-14-21-43-17-10-12-24-52(43)53)51-38-31-46(32-39-51)56-57-54-25-13-11-18-44(54)33-40-55(57)60(48-22-8-3-9-23-48)58(56)47-19-6-2-7-20-47/h1-40H.
What are the key properties of N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-[4-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline 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-(2,3-diphenylbenzo[e]indol-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 134396685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).