2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline

C42H27N3 — CID 171732305

About 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline

2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 171732305) has the molecular formula C42H27N3 and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
• PubChem CID: 171732305
• Molecular Formula: C42H27N3
• Molecular Weight: 573.70 g/mol
• Exact Mass: 573.22
• IUPAC Name: 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6ccc(-c7ccccn7)nc6c5n4)ccc32)cc1
• InChI: InChI=1S/C42H27N3/c1-3-11-31(12-4-1)42(32-13-5-2-6-14-32)35-16-8-7-15-33(35)34-27-30(20-23-36(34)42)37-24-21-28-18-19-29-22-25-39(38-17-9-10-26-43-38)45-41(29)40(28)44-37/h1-27H
• InChIKey: CHBSBIQLOHWVRV-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 38.67 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.70
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline?

The IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline (CID 171732305) is 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline.

What is the SMILES notation for 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline?

The canonical SMILES for 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4ccc5ccc6ccc(-c7ccccn7)nc6c5n4)ccc32)cc1.

What is the InChIKey of 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline?

The InChIKey is CHBSBIQLOHWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3/c1-3-11-31(12-4-1)42(32-13-5-2-6-14-32)35-16-8-7-15-33(35)34-27-30(20-23-36(34)42)37-24-21-28-18-19-29-22-25-39(38-17-9-10-26-43-38)45-41(29)40(28)44-37/h1-27H.

What are the key properties of 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline?

2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 573.70 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-diphenylfluoren-3-yl)-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 171732305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).