5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C63H47N — CID 167172367

About 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 167172367) has the molecular formula C63H47N and a molecular weight of 818.08 g/mol. Its IUPAC name is 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 167172367
• Molecular Formula: C63H47N
• Molecular Weight: 818.08 g/mol
• Exact Mass: 817.37
• IUPAC Name: 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: C=C/C=C\C=C(/C)c1c(-c2ccccc2)c(-c2ccccc2)c2ccc(-c3cccc4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cccc34)cc2c1-c1ccccc1
• InChI: InChI=1S/C63H47N/c1-3-4-10-23-45(2)60-62(49-28-15-7-16-29-49)58-44-51(40-43-57(58)61(48-26-13-6-14-27-48)63(60)50-30-17-8-18-31-50)54-34-21-36-56-55(54)35-22-37-59(56)64(52-32-19-9-20-33-52)53-41-38-47(39-42-53)46-24-11-5-12-25-46/h3-44H,1H2,2H3/b10-4-,45-23+
• InChIKey: ZVBPWXJUNCJFAN-MIUPPBNASA-N
• XLogP: 17.94
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.08
LogP ≤ 5	17.94
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 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 167172367) is 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is C=C/C=C\C=C(/C)c1c(-c2ccccc2)c(-c2ccccc2)c2ccc(-c3cccc4c(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cccc34)cc2c1-c1ccccc1.

What is the InChIKey of 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is ZVBPWXJUNCJFAN-MIUPPBNASA-N. The full InChI is InChI=1S/C63H47N/c1-3-4-10-23-45(2)60-62(49-28-15-7-16-29-49)58-44-51(40-43-57(58)61(48-26-13-6-14-27-48)63(60)50-30-17-8-18-31-50)54-34-21-36-56-55(54)35-22-37-59(56)64(52-32-19-9-20-33-52)53-41-38-47(39-42-53)46-24-11-5-12-25-46/h3-44H,1H2,2H3/b10-4-,45-23+.

What are the key properties of 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 818.08 g/mol, XLogP of 17.94, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5,6,8-triphenylnaphthalen-2-yl]-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167172367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).