3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol

C44H28N2O — CID 137158075

About 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol

3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol (PubChem CID 137158075) has the molecular formula C44H28N2O and a molecular weight of 600.72 g/mol. Its IUPAC name is 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol
• PubChem CID: 137158075
• Molecular Formula: C44H28N2O
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.22
• IUPAC Name: 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol
• SMILES: Oc1c(-c2ccc3ccc4cccnc4c3n2)cc2ccccc2c1-c1c(-c2ccc(-c3ccccc3)cc2)ccc2ccccc12
• InChI: InChI=1S/C44H28N2O/c47-44-38(39-25-23-33-21-20-32-13-8-26-45-42(32)43(33)46-39)27-34-12-5-7-15-36(34)41(44)40-35-14-6-4-11-30(35)22-24-37(40)31-18-16-29(17-19-31)28-9-2-1-3-10-28/h1-27,47H
• InChIKey: BDKHWUFIDGMLAT-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 46.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	1
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 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol?

The IUPAC name of 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol (CID 137158075) is 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol.

What is the SMILES notation for 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol?

The canonical SMILES for 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol is Oc1c(-c2ccc3ccc4cccnc4c3n2)cc2ccccc2c1-c1c(-c2ccc(-c3ccccc3)cc2)ccc2ccccc12.

What is the InChIKey of 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol?

The InChIKey is BDKHWUFIDGMLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2O/c47-44-38(39-25-23-33-21-20-32-13-8-26-45-42(32)43(33)46-39)27-34-12-5-7-15-36(34)41(44)40-35-14-6-4-11-30(35)22-24-37(40)31-18-16-29(17-19-31)28-9-2-1-3-10-28/h1-27,47H.

What are the key properties of 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol?

3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 600.72 g/mol, XLogP of 11.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,10-phenanthrolin-2-yl)-1-[2-(4-phenylphenyl)naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 137158075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).