4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine

C58H49N — CID 123864125

About 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine

4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine (PubChem CID 123864125) has the molecular formula C58H49N and a molecular weight of 760.04 g/mol. Its IUPAC name is 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
• PubChem CID: 123864125
• Molecular Formula: C58H49N
• Molecular Weight: 760.04 g/mol
• Exact Mass: 759.39
• IUPAC Name: 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
• SMILES: Cc1ccc(C(=CC=Cc2ccc(N(c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)CCCC4)c3ccccc23)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C58H49N/c1-42-24-30-49(31-25-42)54(50-32-26-43(2)27-33-50)23-13-20-48-35-39-58(56-22-12-11-21-55(48)56)59(53-38-34-45-14-9-10-19-51(45)41-53)52-36-28-44(29-37-52)40-57(46-15-5-3-6-16-46)47-17-7-4-8-18-47/h3-8,11-13,15-18,20-41H,9-10,14,19H2,1-2H3
• InChIKey: GUYCTMVOTXDVAU-UHFFFAOYSA-N
• XLogP: 15.54
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.04
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine?

The IUPAC name of 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine (CID 123864125) is 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine.

What is the SMILES notation for 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine?

The canonical SMILES for 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine is Cc1ccc(C(=CC=Cc2ccc(N(c3ccc(C=C(c4ccccc4)c4ccccc4)cc3)c3ccc4c(c3)CCCC4)c3ccccc23)c2ccc(C)cc2)cc1.

What is the InChIKey of 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine?

The InChIKey is GUYCTMVOTXDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H49N/c1-42-24-30-49(31-25-42)54(50-32-26-43(2)27-33-50)23-13-20-48-35-39-58(56-22-12-11-21-55(48)56)59(53-38-34-45-14-9-10-19-51(45)41-53)52-36-28-44(29-37-52)40-57(46-15-5-3-6-16-46)47-17-7-4-8-18-47/h3-8,11-13,15-18,20-41H,9-10,14,19H2,1-2H3.

What are the key properties of 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine?

4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine has a molecular weight of 760.04 g/mol, XLogP of 15.54, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine is sourced from PubChem (CID 123864125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).