N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine

C66H46N2 — CID 58511479

About N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine

N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine (PubChem CID 58511479) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
• PubChem CID: 58511479
• Molecular Formula: C66H46N2
• Molecular Weight: 867.11 g/mol
• Exact Mass: 866.37
• IUPAC Name: N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
• SMILES: C(=C/c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1)\c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C66H46N2/c1-3-15-57-45-61(43-37-49(57)11-1)67(65-21-9-17-55-13-5-7-19-63(55)65)59-39-33-53(34-40-59)51-29-25-47(26-30-51)23-24-48-27-31-52(32-28-48)54-35-41-60(42-36-54)68(62-44-38-50-12-2-4-16-58(50)46-62)66-22-10-18-56-14-6-8-20-64(56)66/h1-46H/b24-23+
• InChIKey: IUNZFEFCLQJBBF-WCWDXBQESA-N
• XLogP: 18.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.11
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine (CID 58511479) is N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine is C(=C/c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1)\c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)cc2)cc1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine?

The InChIKey is IUNZFEFCLQJBBF-WCWDXBQESA-N. The full InChI is InChI=1S/C66H46N2/c1-3-15-57-45-61(43-37-49(57)11-1)67(65-21-9-17-55-13-5-7-19-63(55)65)59-39-33-53(34-40-59)51-29-25-47(26-30-51)23-24-48-27-31-52(32-28-48)54-35-41-60(42-36-54)68(62-44-38-50-12-2-4-16-58(50)46-62)66-22-10-18-56-14-6-8-20-64(56)66/h1-46H/b24-23+.

What are the key properties of N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine?

N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine has a molecular weight of 867.11 g/mol, XLogP of 18.74, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 58511479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).