2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline

C36H28N2 — CID 118616888

IUPAC2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-3-9-27(10-4-1)28-15-21-32(22-16-28)37-33-23-17-29(18-24-33)30-19-25-34(26-20-30)38-36-14-8-7-13-35(36)31-11-5-2-6-12-31/h1-26,37-38H
InChIKeyVYZHUTDPDXTOGD-UHFFFAOYSA-N
MW488.63 g/mol
LogP10.17
Rot. Bonds7

About 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline

2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline (PubChem CID 118616888) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
PubChem CID118616888
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H28N2/c1-3-9-27(10-4-1)28-15-21-32(22-16-28)37-33-23-17-29(18-24-33)30-19-25-34(26-20-30)38-36-14-8-7-13-35(36)31-11-5-2-6-12-31/h1-26,37-38H
InChIKeyVYZHUTDPDXTOGD-UHFFFAOYSA-N
XLogP10.17
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
N-(4-ethenylphenyl)-2-phenylaniline
CID 142706945
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline?
The IUPAC name of 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline (CID 118616888) is 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline.
What is the SMILES notation for 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline?
The canonical SMILES for 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline?
The InChIKey is VYZHUTDPDXTOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c1-3-9-27(10-4-1)28-15-21-32(22-16-28)37-33-23-17-29(18-24-33)30-19-25-34(26-20-30)38-36-14-8-7-13-35(36)31-11-5-2-6-12-31/h1-26,37-38H.
What are the key properties of 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline?
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline has a molecular weight of 488.63 g/mol, XLogP of 10.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline is sourced from PubChem (CID 118616888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).