4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene

C67H51N — CID 143893585

About 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene (PubChem CID 143893585) has the molecular formula C67H51N and a molecular weight of 870.15 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
• PubChem CID: 143893585
• Molecular Formula: C67H51N
• Molecular Weight: 870.15 g/mol
• Exact Mass: 869.40
• IUPAC Name: 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C62H43N.C5H8/c1-2-11-44(12-3-1)54-17-8-18-55(43-54)49-35-41-58(42-36-49)63(56-37-31-47(32-38-56)45-23-27-52(28-24-45)61-21-9-15-50-13-4-6-19-59(50)61)57-39-33-48(34-40-57)46-25-29-53(30-26-46)62-22-10-16-51-14-5-7-20-60(51)62;1-3-5-4-2/h1-43H;3-5H,1H2,2H3/b;5-4-
• InChIKey: DCMDCTJCYIWKGE-GUHKXDMSSA-N
• XLogP: 19.21
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.15
LogP ≤ 5	19.21
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-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene?

The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene (CID 143893585) is 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene.

What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene?

The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene is C=C/C=C\C.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)cc3)c2)cc1.

What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene?

The InChIKey is DCMDCTJCYIWKGE-GUHKXDMSSA-N. The full InChI is InChI=1S/C62H43N.C5H8/c1-2-11-44(12-3-1)54-17-8-18-55(43-54)49-35-41-58(42-36-49)63(56-37-31-47(32-38-56)45-23-27-52(28-24-45)61-21-9-15-50-13-4-6-19-59(50)61)57-39-33-48(34-40-57)46-25-29-53(30-26-46)62-22-10-16-51-14-5-7-20-60(51)62;1-3-5-4-2/h1-43H;3-5H,1H2,2H3/b;5-4-.

What are the key properties of 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene?

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene has a molecular weight of 870.15 g/mol, XLogP of 19.21, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143893585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).