5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene

C50H32 — CID 59390472

About 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene

5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene (PubChem CID 59390472) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene.

Molecular Properties

• Compound Name: 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
• PubChem CID: 59390472
• Molecular Formula: C50H32
• Molecular Weight: 632.81 g/mol
• Exact Mass: 632.25
• IUPAC Name: 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2cc3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4c3c3ccccc23)c1
• InChI: InChI=1S/C50H32/c1-2-13-37-29-39(28-23-33(37)11-1)38-15-9-16-40(30-38)49-32-41-31-48(44-18-5-7-20-46(44)50(41)47-21-8-6-19-45(47)49)36-26-24-35(25-27-36)43-22-10-14-34-12-3-4-17-42(34)43/h1-32H
• InChIKey: QPGKBIJIHJLINB-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.81
LogP ≤ 5	14.12
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 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene?

The IUPAC name of 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene (CID 59390472) is 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene.

What is the SMILES notation for 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene?

The canonical SMILES for 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene is c1cc(-c2ccc3ccccc3c2)cc(-c2cc3cc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4c3c3ccccc23)c1.

What is the InChIKey of 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene?

The InChIKey is QPGKBIJIHJLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-13-37-29-39(28-23-33(37)11-1)38-15-9-16-40(30-38)49-32-41-31-48(44-18-5-7-20-46(44)50(41)47-21-8-6-19-45(47)49)36-26-24-35(25-27-36)43-22-10-14-34-12-3-4-17-42(34)43/h1-32H.

What are the key properties of 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene?

5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-naphthalen-2-ylphenyl)-8-(4-naphthalen-1-ylphenyl)benzo[c]phenanthrene is sourced from PubChem (CID 59390472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).