6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C65H51N — CID 77419755

About 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 77419755) has the molecular formula C65H51N and a molecular weight of 846.13 g/mol. Its IUPAC name is 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 77419755
• Molecular Formula: C65H51N
• Molecular Weight: 846.13 g/mol
• Exact Mass: 845.40
• IUPAC Name: 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: Cc1ccc(C(=Cc2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc(C=C(c5ccccc5)c5ccc(Cc6ccccc6)cc5)ccc34)cc2)c2ccc(C)cc2)cc1
• InChI: InChI=1S/C65H51N/c1-47-21-30-56(31-22-47)63(57-32-23-48(2)24-33-57)45-51-27-38-60(39-28-51)66(61-40-36-54(37-41-61)53-15-8-4-9-16-53)65-20-12-19-59-44-52(29-42-62(59)65)46-64(55-17-10-5-11-18-55)58-34-25-50(26-35-58)43-49-13-6-3-7-14-49/h3-42,44-46H,43H2,1-2H3
• InChIKey: QUXLCCYRPSPCTR-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.13
LogP ≤ 5	17.36
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 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 77419755) is 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is Cc1ccc(C(=Cc2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4cc(C=C(c5ccccc5)c5ccc(Cc6ccccc6)cc5)ccc34)cc2)c2ccc(C)cc2)cc1.

What is the InChIKey of 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is QUXLCCYRPSPCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51N/c1-47-21-30-56(31-22-47)63(57-32-23-48(2)24-33-57)45-51-27-38-60(39-28-51)66(61-40-36-54(37-41-61)53-15-8-4-9-16-53)65-20-12-19-59-44-52(29-42-62(59)65)46-64(55-17-10-5-11-18-55)58-34-25-50(26-35-58)43-49-13-6-3-7-14-49/h3-42,44-46H,43H2,1-2H3.

What are the key properties of 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?

6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 846.13 g/mol, XLogP of 17.36, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 77419755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).