4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)

C38H35N3OPt — CID 156667220

About 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)

4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+) (PubChem CID 156667220) has the molecular formula C38H35N3OPt and a molecular weight of 744.80 g/mol. Its IUPAC name is 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+).

Molecular Properties

• Compound Name: 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)
• PubChem CID: 156667220
• Molecular Formula: C38H35N3OPt
• Molecular Weight: 744.80 g/mol
• Exact Mass: 744.24
• IUPAC Name: 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)
• SMILES: CC(C)(C)Cc1ccc2c(ccc3c(-c4[c-]c(Oc5[c-]c(-c6cc(C(C)(C)C)ccn6)ccc5)ccc4)nccc32)n1.[Pt+2]
• InChI: InChI=1S/C38H35N3O.Pt/c1-37(2,3)24-28-13-14-32-31-18-20-40-36(33(31)15-16-34(32)41-28)26-10-8-12-30(22-26)42-29-11-7-9-25(21-29)35-23-27(17-19-39-35)38(4,5)6;/h7-20,23H,24H2,1-6H3;/q-2;+2
• InChIKey: IJAXTCCSARVNDW-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.80
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)?

The IUPAC name of 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+) (CID 156667220) is 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+).

What is the SMILES notation for 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)?

The canonical SMILES for 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+) is CC(C)(C)Cc1ccc2c(ccc3c(-c4[c-]c(Oc5[c-]c(-c6cc(C(C)(C)C)ccn6)ccc5)ccc4)nccc32)n1.[Pt+2].

What is the InChIKey of 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)?

The InChIKey is IJAXTCCSARVNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O.Pt/c1-37(2,3)24-28-13-14-32-31-18-20-40-36(33(31)15-16-34(32)41-28)26-10-8-12-30(22-26)42-29-11-7-9-25(21-29)35-23-27(17-19-39-35)38(4,5)6;/h7-20,23H,24H2,1-6H3;/q-2;+2.

What are the key properties of 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+)?

4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+) has a molecular weight of 744.80 g/mol, XLogP of 9.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-8-(2,2-dimethylpropyl)-3,7-phenanthroline;platinum(2+) is sourced from PubChem (CID 156667220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).