2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline

C36H28N2 — CID 151341764

IUPAC2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline
SMILESNc1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)c1-c1ccccc1
InChIInChI=1S/C36H28N2/c37-35-18-10-17-34(36(35)30-13-6-2-7-14-30)29-21-25-33(26-22-29)38(31-15-8-3-9-16-31)32-23-19-28(20-24-32)27-11-4-1-5-12-27/h1-26H,37H2
InChIKeyOKPXOQSNTNQGFG-UHFFFAOYSA-N
MW488.63 g/mol
LogP9.74
Rot. Bonds6

About 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline

2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline (PubChem CID 151341764) has the molecular formula C36H28N2 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline.

Molecular Properties

Compound Name2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline
PubChem CID151341764
Molecular FormulaC36H28N2
Molecular Weight488.63 g/mol
Exact Mass488.23
IUPAC Name2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline
SMILESNc1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)c1-c1ccccc1
InChIInChI=1S/C36H28N2/c37-35-18-10-17-34(36(35)30-13-6-2-7-14-30)29-21-25-33(26-22-29)38(31-15-8-3-9-16-31)32-23-19-28(20-24-32)27-11-4-1-5-12-27/h1-26H,37H2
InChIKeyOKPXOQSNTNQGFG-UHFFFAOYSA-N
XLogP9.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 59.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The IUPAC name of 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline (CID 151341764) is 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline.
What is the SMILES notation for 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The canonical SMILES for 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline is Nc1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)c1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
The InChIKey is OKPXOQSNTNQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2/c37-35-18-10-17-34(36(35)30-13-6-2-7-14-30)29-21-25-33(26-22-29)38(31-15-8-3-9-16-31)32-23-19-28(20-24-32)27-11-4-1-5-12-27/h1-26H,37H2.
What are the key properties of 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline?
2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline has a molecular weight of 488.63 g/mol, XLogP of 9.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 151341764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).