2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline

C36H29N3 — CID 118176553

IUPAC2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4cccc(-c5ccccc5Nc5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C36H29N3/c1-3-11-30(12-4-1)37-32-22-18-27(19-23-32)28-20-24-33(25-21-28)38-34-15-9-10-29(26-34)35-16-7-8-17-36(35)39-31-13-5-2-6-14-31/h1-26,37-39H
InChIKeyZAJPBKBWTQSXLT-UHFFFAOYSA-N
MW503.65 g/mol
LogP10.25
Rot. Bonds8

About 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline

2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline (PubChem CID 118176553) has the molecular formula C36H29N3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
PubChem CID118176553
Molecular FormulaC36H29N3
Molecular Weight503.65 g/mol
Exact Mass503.24
IUPAC Name2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
SMILESc1ccc(Nc2ccc(-c3ccc(Nc4cccc(-c5ccccc5Nc5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C36H29N3/c1-3-11-30(12-4-1)37-32-22-18-27(19-23-32)28-20-24-33(25-21-28)38-34-15-9-10-29(26-34)35-16-7-8-17-36(35)39-31-13-5-2-6-14-31/h1-26,37-39H
InChIKeyZAJPBKBWTQSXLT-UHFFFAOYSA-N
XLogP10.25
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 510.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline?
The IUPAC name of 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline (CID 118176553) is 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline?
The canonical SMILES for 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline is c1ccc(Nc2ccc(-c3ccc(Nc4cccc(-c5ccccc5Nc5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline?
The InChIKey is ZAJPBKBWTQSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3/c1-3-11-30(12-4-1)37-32-22-18-27(19-23-32)28-20-24-33(25-21-28)38-34-15-9-10-29(26-34)35-16-7-8-17-36(35)39-31-13-5-2-6-14-31/h1-26,37-39H.
What are the key properties of 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline?
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline has a molecular weight of 503.65 g/mol, XLogP of 10.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline is sourced from PubChem (CID 118176553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).