2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline

C48H36N2 — CID 69449342

IUPAC2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(Nc5ccccc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2/c1-3-11-35(12-4-1)37-19-23-41(24-20-37)45-15-7-9-17-47(45)49-43-31-27-39(28-32-43)40-29-33-44(34-30-40)50-48-18-10-8-16-46(48)42-25-21-38(22-26-42)36-13-5-2-6-14-36/h1-34,49-50H
InChIKeyXONLLTFIXIENJQ-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.51
Rot. Bonds9

About 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline

2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline (PubChem CID 69449342) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline.

Molecular Properties

Compound Name2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
PubChem CID69449342
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(Nc5ccccc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H36N2/c1-3-11-35(12-4-1)37-19-23-41(24-20-37)45-15-7-9-17-47(45)49-43-31-27-39(28-32-43)40-29-33-44(34-30-40)50-48-18-10-8-16-46(48)42-25-21-38(22-26-42)36-13-5-2-6-14-36/h1-34,49-50H
InChIKeyXONLLTFIXIENJQ-UHFFFAOYSA-N
XLogP13.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
benzene;N,2-diphenylaniline
CID 175029921
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
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
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-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline?
The IUPAC name of 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline (CID 69449342) is 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline.
What is the SMILES notation for 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline?
The canonical SMILES for 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3Nc3ccc(-c4ccc(Nc5ccccc5-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline?
The InChIKey is XONLLTFIXIENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-3-11-35(12-4-1)37-19-23-41(24-20-37)45-15-7-9-17-47(45)49-43-31-27-39(28-32-43)40-29-33-44(34-30-40)50-48-18-10-8-16-46(48)42-25-21-38(22-26-42)36-13-5-2-6-14-36/h1-34,49-50H.
What are the key properties of 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline?
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline has a molecular weight of 640.83 g/mol, XLogP of 13.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline is sourced from PubChem (CID 69449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).