N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline

C58H41N — CID 175802029

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)c3)c2)cc1
InChIInChI=1S/C58H41N/c1-5-17-42(18-6-1)50-40-56(45-19-7-2-8-20-45)58(47-22-9-3-10-23-47)57(41-50)49-26-15-25-48(39-49)43-31-35-52(36-32-43)59(51-27-11-4-12-28-51)53-37-33-46(34-38-53)55-30-16-24-44-21-13-14-29-54(44)55/h1-41H
InChIKeyHXADZIBRRIYMEH-UHFFFAOYSA-N
MW751.97 g/mol
LogP16.31
Rot. Bonds9

About N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline (PubChem CID 175802029) has the molecular formula C58H41N and a molecular weight of 751.97 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
PubChem CID175802029
Molecular FormulaC58H41N
Molecular Weight751.97 g/mol
Exact Mass751.32
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)c3)c2)cc1
InChIInChI=1S/C58H41N/c1-5-17-42(18-6-1)50-40-56(45-19-7-2-8-20-45)58(47-22-9-3-10-23-47)57(41-50)49-26-15-25-48(39-49)43-31-35-52(36-32-43)59(51-27-11-4-12-28-51)53-37-33-46(34-38-53)55-30-16-24-44-21-13-14-29-54(44)55/h1-41H
InChIKeyHXADZIBRRIYMEH-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-(4-naphthalen-1-ylphenyl)-N-phenyl-3-(2,4,6-triphenylphenyl)aniline
CID 166679444
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-phenyl-4-(3-phenylnaphthalen-1-yl)-N-[4-(2,4,6-triphenylphenyl)phenyl]aniline
CID 156808683
bis(3,5-diphenyl-N,N-bis(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline);N,3-diphenyl-N-(4-phenylphenyl)-4-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline;3-phenyl-N,N-bis(4-phenylphenyl)-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 158742458
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
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-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
CID 175802280
4-N-[4-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176588104
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline (CID 175802029) is N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6cccc7ccccc67)cc5)cc4)c3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline?
The InChIKey is HXADZIBRRIYMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N/c1-5-17-42(18-6-1)50-40-56(45-19-7-2-8-20-45)58(47-22-9-3-10-23-47)57(41-50)49-26-15-25-48(39-49)43-31-35-52(36-32-43)59(51-27-11-4-12-28-51)53-37-33-46(34-38-53)55-30-16-24-44-21-13-14-29-54(44)55/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-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-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[3-(2,3,5-triphenylphenyl)phenyl]aniline is sourced from PubChem (CID 175802029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).