2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline

C40H30N2 — CID 139322198

IUPAC2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccccc3-c3ccccc3Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C40H30N2/c1-2-11-29(12-3-1)30-21-25-33(26-22-30)41-39-19-8-6-16-37(39)38-17-7-9-20-40(38)42-34-27-23-32(24-28-34)36-18-10-14-31-13-4-5-15-35(31)36/h1-28,41-42H
InChIKeyDWRDCANDMPXMDV-UHFFFAOYSA-N
MW538.69 g/mol
LogP11.33
Rot. Bonds7

About 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline

2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 139322198) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID139322198
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(Nc3ccccc3-c3ccccc3Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C40H30N2/c1-2-11-29(12-3-1)30-21-25-33(26-22-30)41-39-19-8-6-16-37(39)38-17-7-9-20-40(38)42-34-27-23-32(24-28-34)36-18-10-14-31-13-4-5-15-35(31)36/h1-28,41-42H
InChIKeyDWRDCANDMPXMDV-UHFFFAOYSA-N
XLogP11.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 511.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
2-phenanthren-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 168764813
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
ethane;methanethiol;N-(4-naphthalen-1-ylphenyl)-2,4-diphenylaniline
CID 145442322
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
4-(4-anilinophenyl)-2-naphthalen-1-yl-N-phenylaniline
CID 66605145
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline (CID 139322198) is 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(Nc3ccccc3-c3ccccc3Nc3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DWRDCANDMPXMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-2-11-29(12-3-1)30-21-25-33(26-22-30)41-39-19-8-6-16-37(39)38-17-7-9-20-40(38)42-34-27-23-32(24-28-34)36-18-10-14-31-13-4-5-15-35(31)36/h1-28,41-42H.
What are the key properties of 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline?
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 538.69 g/mol, XLogP of 11.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 139322198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).