N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

C52H37N — CID 164831677

IUPACN-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-16-39(17-5-1)48-25-12-13-29-51(48)53(44-34-30-41(31-35-44)47-26-14-23-38-20-10-11-24-46(38)47)45-36-32-42(33-37-45)50-28-15-27-49(40-18-6-2-7-19-40)52(50)43-21-8-3-9-22-43/h1-37H
InChIKeyNEJDIDKPQMCZNX-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline

N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (PubChem CID 164831677) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
PubChem CID164831677
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C52H37N/c1-4-16-39(17-5-1)48-25-12-13-29-51(48)53(44-34-30-41(31-35-44)47-26-14-23-38-20-10-11-24-46(38)47)45-36-32-42(33-37-45)50-28-15-27-49(40-18-6-2-7-19-40)52(50)43-21-8-3-9-22-43/h1-37H
InChIKeyNEJDIDKPQMCZNX-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168791070
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-(4-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789214
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline (CID 164831677) is N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4ccccc4)c3-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
The InChIKey is NEJDIDKPQMCZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-16-39(17-5-1)48-25-12-13-29-51(48)53(44-34-30-41(31-35-44)47-26-14-23-38-20-10-11-24-46(38)47)45-36-32-42(33-37-45)50-28-15-27-49(40-18-6-2-7-19-40)52(50)43-21-8-3-9-22-43/h1-37H.
What are the key properties of N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline?
N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 164831677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).