N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C40H39NO — CID 15476311

About N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 15476311) has the molecular formula C40H39NO and a molecular weight of 549.76 g/mol. Its IUPAC name is N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
• PubChem CID: 15476311
• Molecular Formula: C40H39NO
• Molecular Weight: 549.76 g/mol
• Exact Mass: 549.30
• IUPAC Name: N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
• SMILES: CCOCCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2cccc3c2CCCC3)cc1
• InChI: InChI=1S/C40H39NO/c1-2-42-29-28-31-20-24-36(25-21-31)41(40-19-11-17-33-16-9-10-18-38(33)40)37-26-22-32(23-27-37)30-39(34-12-5-3-6-13-34)35-14-7-4-8-15-35/h3-8,11-15,17,19-27,30H,2,9-10,16,18,28-29H2,1H3
• InChIKey: YKODSUDQEXEZTJ-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.76
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 15476311) is N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine.

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

The canonical SMILES for N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine is CCOCCc1ccc(N(c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c2cccc3c2CCCC3)cc1.

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

The InChIKey is YKODSUDQEXEZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39NO/c1-2-42-29-28-31-20-24-36(25-21-31)41(40-19-11-17-33-16-9-10-18-38(33)40)37-26-22-32(23-27-37)30-39(34-12-5-3-6-13-34)35-14-7-4-8-15-35/h3-8,11-15,17,19-27,30H,2,9-10,16,18,28-29H2,1H3.

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

N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 549.76 g/mol, XLogP of 10.20, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 15476311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).