N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline

C35H27N — CID 70877185

IUPACN-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESCN(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C35H27N/c1-36(33-23-19-29(20-24-33)35-16-8-12-28-11-5-6-15-34(28)35)32-21-17-27(18-22-32)31-14-7-13-30(25-31)26-9-3-2-4-10-26/h2-25H,1H3
InChIKeyHXKUSNXYWXCXME-UHFFFAOYSA-N
MW461.61 g/mol
LogP9.61
Rot. Bonds5

About N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline

N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline (PubChem CID 70877185) has the molecular formula C35H27N and a molecular weight of 461.61 g/mol. Its IUPAC name is N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
PubChem CID70877185
Molecular FormulaC35H27N
Molecular Weight461.61 g/mol
Exact Mass461.21
IUPAC NameN-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline
SMILESCN(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C35H27N/c1-36(33-23-19-29(20-24-33)35-16-8-12-28-11-5-6-15-34(28)35)32-21-17-27(18-22-32)31-14-7-13-30(25-31)26-9-3-2-4-10-26/h2-25H,1H3
InChIKeyHXKUSNXYWXCXME-UHFFFAOYSA-N
XLogP9.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966
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
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline?
The IUPAC name of N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline (CID 70877185) is N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline.
What is the SMILES notation for N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline?
The canonical SMILES for N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline is CN(c1ccc(-c2cccc(-c3ccccc3)c2)cc1)c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline?
The InChIKey is HXKUSNXYWXCXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N/c1-36(33-23-19-29(20-24-33)35-16-8-12-28-11-5-6-15-34(28)35)32-21-17-27(18-22-32)31-14-7-13-30(25-31)26-9-3-2-4-10-26/h2-25H,1H3.
What are the key properties of N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline?
N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline has a molecular weight of 461.61 g/mol, XLogP of 9.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)aniline is sourced from PubChem (CID 70877185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).