N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline

C42H36N2 — CID 66634309

About N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline

N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 66634309) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
• PubChem CID: 66634309
• Molecular Formula: C42H36N2
• Molecular Weight: 568.76 g/mol
• Exact Mass: 568.29
• IUPAC Name: N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
• SMILES: C=CCc1ccccc1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3CC=C)cc2)cc1
• InChI: InChI=1S/C42H36N2/c1-3-15-35-17-11-13-23-41(35)43(37-19-7-5-8-20-37)39-29-25-33(26-30-39)34-27-31-40(32-28-34)44(38-21-9-6-10-22-38)42-24-14-12-18-36(42)16-4-2/h3-14,17-32H,1-2,15-16H2
• InChIKey: SOVLNCZIVYJLSH-UHFFFAOYSA-N
• XLogP: 11.75
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.76
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?

The IUPAC name of N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline (CID 66634309) is N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline.

What is the SMILES notation for N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?

The canonical SMILES for N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline is C=CCc1ccccc1N(c1ccccc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3CC=C)cc2)cc1.

What is the InChIKey of N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?

The InChIKey is SOVLNCZIVYJLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H36N2/c1-3-15-35-17-11-13-23-41(35)43(37-19-7-5-8-20-37)39-29-25-33(26-30-39)34-27-31-40(32-28-34)44(38-21-9-6-10-22-38)42-24-14-12-18-36(42)16-4-2/h3-14,17-32H,1-2,15-16H2.

What are the key properties of N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?

N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 568.76 g/mol, XLogP of 11.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 66634309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).