(1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine

C47H35N — CID 142297675

About (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine

(1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine (PubChem CID 142297675) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine
• PubChem CID: 142297675
• Molecular Formula: C47H35N
• Molecular Weight: 613.80 g/mol
• Exact Mass: 613.28
• IUPAC Name: (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine
• SMILES: N/C(=C\C(=C/Cc1ccccc1)c1ccccc1-c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1)c1ccccc1
• InChI: InChI=1S/C47H35N/c48-47(34-17-5-2-6-18-34)32-36(28-27-33-15-3-1-4-16-33)38-20-8-10-22-40(38)39-21-9-7-19-37(39)35-29-30-45-43-25-12-11-23-41(43)42-24-13-14-26-44(42)46(45)31-35/h1-26,28-32H,27,48H2/b36-28+,47-32-
• InChIKey: RCQXCYLIRQYUOH-CZGQRELLSA-N
• XLogP: 12.11
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.80
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine?

The IUPAC name of (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine (CID 142297675) is (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine.

What is the SMILES notation for (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine?

The canonical SMILES for (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine is N/C(=C\C(=C/Cc1ccccc1)c1ccccc1-c1ccccc1-c1ccc2c3ccccc3c3ccccc3c2c1)c1ccccc1.

What is the InChIKey of (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine?

The InChIKey is RCQXCYLIRQYUOH-CZGQRELLSA-N. The full InChI is InChI=1S/C47H35N/c48-47(34-17-5-2-6-18-34)32-36(28-27-33-15-3-1-4-16-33)38-20-8-10-22-40(38)39-21-9-7-19-37(39)35-29-30-45-43-25-12-11-23-41(43)42-24-13-14-26-44(42)46(45)31-35/h1-26,28-32H,27,48H2/b36-28+,47-32-.

What are the key properties of (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine?

(1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine has a molecular weight of 613.80 g/mol, XLogP of 12.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,3E)-1,5-diphenyl-3-[2-(2-triphenylen-2-ylphenyl)phenyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 142297675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).