4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline

C30H26N2 — CID 144960504

IUPAC4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline
SMILESNc1ccccc1-c1cccc(-c2ccc(NC3=CCCC=C3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C30H26N2/c31-29-17-8-7-16-27(29)25-13-9-12-23(20-25)24-18-19-30(32-26-14-5-2-6-15-26)28(21-24)22-10-3-1-4-11-22/h1,3-5,7-21,32H,2,6,31H2
InChIKeyXJXLTTFIVJODHN-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.92
Rot. Bonds5

About 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline

4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline (PubChem CID 144960504) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline
PubChem CID144960504
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline
SMILESNc1ccccc1-c1cccc(-c2ccc(NC3=CCCC=C3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C30H26N2/c31-29-17-8-7-16-27(29)25-13-9-12-23(20-25)24-18-19-30(32-26-14-5-2-6-15-26)28(21-24)22-10-3-1-4-11-22/h1,3-5,7-21,32H,2,6,31H2
InChIKeyXJXLTTFIVJODHN-UHFFFAOYSA-N
XLogP7.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline?
The IUPAC name of 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline (CID 144960504) is 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline.
What is the SMILES notation for 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline?
The canonical SMILES for 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline is Nc1ccccc1-c1cccc(-c2ccc(NC3=CCCC=C3)c(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline?
The InChIKey is XJXLTTFIVJODHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c31-29-17-8-7-16-27(29)25-13-9-12-23(20-25)24-18-19-30(32-26-14-5-2-6-15-26)28(21-24)22-10-3-1-4-11-22/h1,3-5,7-21,32H,2,6,31H2.
What are the key properties of 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline?
4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline has a molecular weight of 414.55 g/mol, XLogP of 7.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)phenyl]-N-cyclohexa-1,5-dien-1-yl-2-phenylaniline is sourced from PubChem (CID 144960504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).