N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C39H35N — CID 54210687

About N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 54210687) has the molecular formula C39H35N and a molecular weight of 517.72 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
• PubChem CID: 54210687
• Molecular Formula: C39H35N
• Molecular Weight: 517.72 g/mol
• Exact Mass: 517.28
• IUPAC Name: N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
• SMILES: Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccccc4)cc3)c3cccc4c3CCCC4)cc2)cc1
• InChI: InChI=1S/C39H35N/c1-30-14-16-32(17-15-30)20-21-34-24-28-37(29-25-34)40(39-13-7-11-35-10-5-6-12-38(35)39)36-26-22-33(23-27-36)19-18-31-8-3-2-4-9-31/h2-4,7-9,11,13-29H,5-6,10,12H2,1H3
• InChIKey: PVSQQNVNPREEHG-UHFFFAOYSA-N
• XLogP: 10.68
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.72
LogP ≤ 5	10.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine?

The IUPAC name of N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 54210687) is N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

What is the SMILES notation for N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine?

The canonical SMILES for N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine is Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccccc4)cc3)c3cccc4c3CCCC4)cc2)cc1.

What is the InChIKey of N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine?

The InChIKey is PVSQQNVNPREEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35N/c1-30-14-16-32(17-15-30)20-21-34-24-28-37(29-25-34)40(39-13-7-11-35-10-5-6-12-38(35)39)36-26-22-33(23-27-36)19-18-31-8-3-2-4-9-31/h2-4,7-9,11,13-29H,5-6,10,12H2,1H3.

What are the key properties of N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine?

N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 517.72 g/mol, XLogP of 10.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 54210687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).