4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline

C31H25N — CID 131995519

IUPAC4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccc(N)cc5)c4)cc3)cc2)cc1
InChIInChI=1S/C31H25N/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26-13-15-27(16-14-26)29-3-2-4-30(21-29)28-17-19-31(32)20-18-28/h2-21H,32H2,1H3
InChIKeyKKJHKIKXCOVIHA-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.25
Rot. Bonds4

About 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline

4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline (PubChem CID 131995519) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
PubChem CID131995519
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC Name4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
SMILESCc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccc(N)cc5)c4)cc3)cc2)cc1
InChIInChI=1S/C31H25N/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26-13-15-27(16-14-26)29-3-2-4-30(21-29)28-17-19-31(32)20-18-28/h2-21H,32H2,1H3
InChIKeyKKJHKIKXCOVIHA-UHFFFAOYSA-N
XLogP8.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline?
The IUPAC name of 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline (CID 131995519) is 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline is Cc1ccc(-c2ccc(-c3ccc(-c4cccc(-c5ccc(N)cc5)c4)cc3)cc2)cc1.
What is the InChIKey of 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline?
The InChIKey is KKJHKIKXCOVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26-13-15-27(16-14-26)29-3-2-4-30(21-29)28-17-19-31(32)20-18-28/h2-21H,32H2,1H3.
What are the key properties of 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline?
4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline has a molecular weight of 411.55 g/mol, XLogP of 8.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 131995519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).