N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline

C58H41N — CID 156808683

IUPACN-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccccc6)cc6ccccc56)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H41N/c1-6-18-42(19-7-1)49-38-48-26-16-17-29-54(48)55(39-49)46-30-34-52(35-31-46)59(51-27-14-5-15-28-51)53-36-32-47(33-37-53)58-56(44-22-10-3-11-23-44)40-50(43-20-8-2-9-21-43)41-57(58)45-24-12-4-13-25-45/h1-41H
InChIKeyKCABKEWGYDBWJF-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline

N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline (PubChem CID 156808683) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
PubChem CID156808683
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccccc6)cc6ccccc56)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H41N/c1-6-18-42(19-7-1)49-38-48-26-16-17-29-54(48)55(39-49)46-30-34-52(35-31-46)59(51-27-14-5-15-28-51)53-36-32-47(33-37-53)58-56(44-22-10-3-11-23-44)40-50(43-20-8-2-9-21-43)41-57(58)45-24-12-4-13-25-45/h1-41H
InChIKeyKCABKEWGYDBWJF-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

N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
N-phenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphthalen-2-amine
CID 166917627
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
CID 175802029
N-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
N,4-diphenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352637
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
CID 175802280
N,N,4-triphenylnaphthalen-2-amine
CID 138623110
N-[4-(4-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylphenanthren-2-amine
CID 176588058
N-(4-naphthalen-2-ylphenyl)-3,4-diphenyl-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808676
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N,N-diphenyl-4-[4-[11-[4-[4-(N-phenylanilino)phenyl]phenyl]chrysen-5-yl]phenyl]aniline
CID 59987791
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-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline (CID 156808683) is N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)c(-c3ccc(N(c4ccccc4)c4ccc(-c5cc(-c6ccccc6)cc6ccccc56)cc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
The InChIKey is KCABKEWGYDBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-6-18-42(19-7-1)49-38-48-26-16-17-29-54(48)55(39-49)46-30-34-52(35-31-46)59(51-27-14-5-15-28-51)53-36-32-47(33-37-53)58-56(44-22-10-3-11-23-44)40-50(43-20-8-2-9-21-43)41-57(58)45-24-12-4-13-25-45/h1-41H.
What are the key properties of N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline?
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]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-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline is sourced from PubChem (CID 156808683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).