3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline

C40H29N — CID 167236634

IUPAC3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C40H29N/c1-3-10-30(11-4-1)33-20-24-38(25-21-33)41(39-26-22-34(23-27-39)31-12-5-2-6-13-31)40-17-9-16-36(29-40)37-19-18-32-14-7-8-15-35(32)28-37/h1-29H
InChIKeyOLXDZJWQNWMOSH-UHFFFAOYSA-N
MW523.68 g/mol
LogP11.31
Rot. Bonds6

About 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline

3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 167236634) has the molecular formula C40H29N and a molecular weight of 523.68 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
PubChem CID167236634
Molecular FormulaC40H29N
Molecular Weight523.68 g/mol
Exact Mass523.23
IUPAC Name3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C40H29N/c1-3-10-30(11-4-1)33-20-24-38(25-21-33)41(39-26-22-34(23-27-39)31-12-5-2-6-13-31)40-17-9-16-36(29-40)37-19-18-32-14-7-8-15-35(32)28-37/h1-29H
InChIKeyOLXDZJWQNWMOSH-UHFFFAOYSA-N
XLogP11.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
5-naphthalen-2-yl-1-N-phenyl-1-N,3-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770392
N-(3-naphthalen-2-ylphenyl)-3,5-diphenyl-N-(3-phenylphenyl)aniline
CID 167323811
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline (CID 167236634) is 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is OLXDZJWQNWMOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N/c1-3-10-30(11-4-1)33-20-24-38(25-21-33)41(39-26-22-34(23-27-39)31-12-5-2-6-13-31)40-17-9-16-36(29-40)37-19-18-32-14-7-8-15-35(32)28-37/h1-29H.
What are the key properties of 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline?
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 523.68 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167236634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).