N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene

C48H40N2 — CID 143268905

About N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene

N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene (PubChem CID 143268905) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene.

Molecular Properties

• Compound Name: N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene
• PubChem CID: 143268905
• Molecular Formula: C48H40N2
• Molecular Weight: 644.86 g/mol
• Exact Mass: 644.32
• IUPAC Name: N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene
• SMILES: C=CC.CN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1)c1cccc2ccccc12
• InChI: InChI=1S/C45H34N2.C3H6/c1-46(45-17-9-15-38-13-7-8-16-44(38)45)40-25-18-36(19-26-40)37-22-29-42(30-23-37)47(43-31-24-34-12-5-6-14-39(34)32-43)41-27-20-35(21-28-41)33-10-3-2-4-11-33;1-3-2/h2-32H,1H3;3H,1H2,2H3
• InChIKey: WMBVMYGRLZKCNJ-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.86
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene?

The IUPAC name of N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene (CID 143268905) is N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene.

What is the SMILES notation for N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene?

The canonical SMILES for N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene is C=CC.CN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1)c1cccc2ccccc12.

What is the InChIKey of N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene?

The InChIKey is WMBVMYGRLZKCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2.C3H6/c1-46(45-17-9-15-38-13-7-8-16-44(38)45)40-25-18-36(19-26-40)37-22-29-42(30-23-37)47(43-31-24-34-12-5-6-14-39(34)32-43)41-27-20-35(21-28-41)33-10-3-2-4-11-33;1-3-2/h2-32H,1H3;3H,1H2,2H3.

What are the key properties of N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene?

N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene has a molecular weight of 644.86 g/mol, XLogP of 13.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene is sourced from PubChem (CID 143268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).