2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine

C43H28N2 — CID 89063881

About 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine

2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine (PubChem CID 89063881) has the molecular formula C43H28N2 and a molecular weight of 572.71 g/mol. Its IUPAC name is 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine.

Molecular Properties

• Compound Name: 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine
• PubChem CID: 89063881
• Molecular Formula: C43H28N2
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.23
• IUPAC Name: 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine
• SMILES: C=C1c2ccccc2-c2cc(-c3ccc4cc(-c5ccc6ccc7ccccc7c6n5)ccc4c3)ccc2N1c1ccccc1
• InChI: InChI=1S/C43H28N2/c1-28-37-12-7-8-14-39(37)40-27-34(22-24-42(40)45(28)36-10-3-2-4-11-36)32-17-18-33-26-35(20-19-31(33)25-32)41-23-21-30-16-15-29-9-5-6-13-38(29)43(30)44-41/h2-27H,1H2
• InChIKey: JKSBADAFEFJDME-UHFFFAOYSA-N
• XLogP: 11.66
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine?

The IUPAC name of 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine (CID 89063881) is 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine.

What is the SMILES notation for 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine?

The canonical SMILES for 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine is C=C1c2ccccc2-c2cc(-c3ccc4cc(-c5ccc6ccc7ccccc7c6n5)ccc4c3)ccc2N1c1ccccc1.

What is the InChIKey of 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine?

The InChIKey is JKSBADAFEFJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2/c1-28-37-12-7-8-14-39(37)40-27-34(22-24-42(40)45(28)36-10-3-2-4-11-36)32-17-18-33-26-35(20-19-31(33)25-32)41-23-21-30-16-15-29-9-5-6-13-38(29)43(30)44-41/h2-27H,1H2.

What are the key properties of 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine?

2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine has a molecular weight of 572.71 g/mol, XLogP of 11.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-benzo[h]quinolin-2-ylnaphthalen-2-yl)-6-methylidene-5-phenylphenanthridine is sourced from PubChem (CID 89063881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).