N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline

C39H28N2 — CID 121286068

IUPACN,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-c6ccncc6)cc5)c34)cc2)cc1
InChIInChI=1S/C39H28N2/c1-3-11-34(12-4-1)41(35-13-5-2-6-14-35)36-23-21-32(22-24-36)38-16-8-10-33-9-7-15-37(39(33)38)31-19-17-29(18-20-31)30-25-27-40-28-26-30/h1-28H
InChIKeyTZCGJLIEKGTUPC-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.71
Rot. Bonds6

About N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline

N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline (PubChem CID 121286068) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
PubChem CID121286068
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC NameN,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-c6ccncc6)cc5)c34)cc2)cc1
InChIInChI=1S/C39H28N2/c1-3-11-34(12-4-1)41(35-13-5-2-6-14-35)36-23-21-32(22-24-36)38-16-8-10-33-9-7-15-37(39(33)38)31-19-17-29(18-20-31)30-25-27-40-28-26-30/h1-28H
InChIKeyTZCGJLIEKGTUPC-UHFFFAOYSA-N
XLogP10.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-[8-[4-(N-(4-methylphenyl)anilino)phenyl]naphthalen-1-yl]phenyl]-N-phenylaniline
CID 169016081
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-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170304738
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-(2-phenylphenyl)-N,8-bis(4-phenylphenyl)naphthalen-1-amine
CID 166041824
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 155474138
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline (CID 121286068) is N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc4cccc(-c5ccc(-c6ccncc6)cc5)c34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline?
The InChIKey is TZCGJLIEKGTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-3-11-34(12-4-1)41(35-13-5-2-6-14-35)36-23-21-32(22-24-36)38-16-8-10-33-9-7-15-37(39(33)38)31-19-17-29(18-20-31)30-25-27-40-28-26-30/h1-28H.
What are the key properties of N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline?
N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline has a molecular weight of 524.67 g/mol, XLogP of 10.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-(4-pyridin-4-ylphenyl)naphthalen-1-yl]aniline is sourced from PubChem (CID 121286068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).