6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene

C56H36 — CID 59399019

About 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene

6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene (PubChem CID 59399019) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene.

Molecular Properties

• Compound Name: 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
• PubChem CID: 59399019
• Molecular Formula: C56H36
• Molecular Weight: 708.90 g/mol
• Exact Mass: 708.28
• IUPAC Name: 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene
• SMILES: c1ccc(-c2ccc3c(c2)c(-c2ccc(-c4cccc5ccccc45)cc2)cc2c4ccc(-c5ccccc5)cc4c(-c4ccc5ccccc5c4)cc32)cc1
• InChI: InChI=1S/C56H36/c1-3-12-37(13-4-1)44-28-30-49-53(33-44)51(42-25-23-41(24-26-42)48-21-11-19-40-17-9-10-20-47(40)48)35-55-50-31-29-45(38-14-5-2-6-15-38)34-54(50)52(36-56(49)55)46-27-22-39-16-7-8-18-43(39)32-46/h1-36H
• InChIKey: WNNFCPSHXRCQRI-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.90
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene?

The IUPAC name of 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene (CID 59399019) is 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene.

What is the SMILES notation for 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene?

The canonical SMILES for 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene is c1ccc(-c2ccc3c(c2)c(-c2ccc(-c4cccc5ccccc45)cc2)cc2c4ccc(-c5ccccc5)cc4c(-c4ccc5ccccc5c4)cc32)cc1.

What is the InChIKey of 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene?

The InChIKey is WNNFCPSHXRCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-12-37(13-4-1)44-28-30-49-53(33-44)51(42-25-23-41(24-26-42)48-21-11-19-40-17-9-10-20-47(40)48)35-55-50-31-29-45(38-14-5-2-6-15-38)34-54(50)52(36-56(49)55)46-27-22-39-16-7-8-18-43(39)32-46/h1-36H.

What are the key properties of 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene?

6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 6-naphthalen-2-yl-12-(4-naphthalen-1-ylphenyl)-2,8-diphenylchrysene is sourced from PubChem (CID 59399019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).