2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline

C51H32N2 — CID 138739023

About 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline

2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 138739023) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
• PubChem CID: 138739023
• Molecular Formula: C51H32N2
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.26
• IUPAC Name: 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2cc(-c4cccc5c(-c6ccc7ccc8cccnc8c7n6)cccc45)ccc32)cc1
• InChI: InChI=1S/C51H32N2/c1-3-13-37(14-4-1)51(38-15-5-2-6-16-38)45-22-8-7-17-44(45)48-40-28-25-35(32-36(40)26-29-46(48)51)39-18-9-20-42-41(39)19-10-21-43(42)47-30-27-34-24-23-33-12-11-31-52-49(33)50(34)53-47/h1-32H
• InChIKey: JODYRRAQOCELSH-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	12.79
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-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline?

The IUPAC name of 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline (CID 138739023) is 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2ccc2cc(-c4cccc5c(-c6ccc7ccc8cccnc8c7n6)cccc45)ccc32)cc1.

What is the InChIKey of 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline?

The InChIKey is JODYRRAQOCELSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c1-3-13-37(14-4-1)51(38-15-5-2-6-16-38)45-22-8-7-17-44(45)48-40-28-25-35(32-36(40)26-29-46(48)51)39-18-9-20-42-41(39)19-10-21-43(42)47-30-27-34-24-23-33-12-11-31-52-49(33)50(34)53-47/h1-32H.

What are the key properties of 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline?

2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 672.83 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 138739023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).