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

C58H47N — CID 123236013

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

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine (PubChem CID 123236013) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
• PubChem CID: 123236013
• Molecular Formula: C58H47N
• Molecular Weight: 758.02 g/mol
• Exact Mass: 757.37
• IUPAC Name: 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine
• SMILES: C(=Cc1ccc(N(c2ccc3c(c2)CCCC3)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)c3ccccc23)cc1)C=C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C58H47N/c1-5-21-46(22-6-1)54(47-23-7-2-8-24-47)33-17-19-44-35-39-52(40-36-44)59(53-41-37-45-20-13-14-29-51(45)43-53)58-42-38-50(56-31-15-16-32-57(56)58)30-18-34-55(48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-12,15-19,21-28,30-43H,13-14,20,29H2
• InChIKey: XDYDQRJSXZUWDN-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.02
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine (CID 123236013) is 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine.

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

The canonical SMILES for 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine is C(=Cc1ccc(N(c2ccc3c(c2)CCCC3)c2ccc(C=CC=C(c3ccccc3)c3ccccc3)c3ccccc23)cc1)C=C(c1ccccc1)c1ccccc1.

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

The InChIKey is XDYDQRJSXZUWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-5-21-46(22-6-1)54(47-23-7-2-8-24-47)33-17-19-44-35-39-52(40-36-44)59(53-41-37-45-20-13-14-29-51(45)43-53)58-42-38-50(56-31-15-16-32-57(56)58)30-18-34-55(48-25-9-3-10-26-48)49-27-11-4-12-28-49/h1-12,15-19,21-28,30-43H,13-14,20,29H2.

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

4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine has a molecular weight of 758.02 g/mol, XLogP of 15.48, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)naphthalen-1-amine is sourced from PubChem (CID 123236013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).