N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline

C58H41N — CID 164831821

IUPACN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H41N/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)45-27-34-52(35-28-45)59(54-38-31-50(32-39-54)56-22-12-20-48-19-10-11-21-55(48)56)53-36-29-46(30-37-53)51-33-40-57(47-15-6-2-7-16-47)58(41-51)49-17-8-3-9-18-49/h1-41H
InChIKeyWGBQSANWXWRWSV-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 164831821) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID164831821
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1
InChIInChI=1S/C58H41N/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)45-27-34-52(35-28-45)59(54-38-31-50(32-39-54)56-22-12-20-48-19-10-11-21-55(48)56)53-36-29-46(30-37-53)51-33-40-57(47-15-6-2-7-16-47)58(41-51)49-17-8-3-9-18-49/h1-41H
InChIKeyWGBQSANWXWRWSV-UHFFFAOYSA-N
XLogP16.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.97
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167003322
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 164831815
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
N-[4-(2,5-diphenylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2-naphthalen-2-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 160767900
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
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
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline (CID 164831821) is N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is WGBQSANWXWRWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-4-13-42(14-5-1)43-23-25-44(26-24-43)45-27-34-52(35-28-45)59(54-38-31-50(32-39-54)56-22-12-20-48-19-10-11-21-55(48)56)53-36-29-46(30-37-53)51-33-40-57(47-15-6-2-7-16-47)58(41-51)49-17-8-3-9-18-49/h1-41H.
What are the key properties of N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline?
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline has a molecular weight of 751.97 g/mol, XLogP of 16.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 164831821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).