3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum

C39H30N3OPt- — CID 171750129

About 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum

3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum (PubChem CID 171750129) has the molecular formula C39H30N3OPt- and a molecular weight of 751.77 g/mol. Its IUPAC name is 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum.

Molecular Properties

• Compound Name: 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum
• PubChem CID: 171750129
• Molecular Formula: C39H30N3OPt-
• Molecular Weight: 751.77 g/mol
• Exact Mass: 751.20
• IUPAC Name: 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum
• SMILES: CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4nn3)cc(-c3ccccc3)c2)nc(-c2cc3ccccc3cc2O)c1.[Pt]
• InChI: InChI=1S/C39H30N3O.Pt/c1-39(2,3)32-23-35(40-37(24-32)33-20-26-13-7-8-14-27(26)22-38(33)43)30-17-29(25-11-5-4-6-12-25)18-31(19-30)36-21-28-15-9-10-16-34(28)41-42-36;/h4-18,20-24,43H,1-3H3;/q-1
• InChIKey: KNKOIYRIUZCUJJ-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 58.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.77
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum?

The IUPAC name of 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum (CID 171750129) is 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum.

What is the SMILES notation for 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum?

The canonical SMILES for 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3cc4ccccc4nn3)cc(-c3ccccc3)c2)nc(-c2cc3ccccc3cc2O)c1.[Pt].

What is the InChIKey of 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum?

The InChIKey is KNKOIYRIUZCUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N3O.Pt/c1-39(2,3)32-23-35(40-37(24-32)33-20-26-13-7-8-14-27(26)22-38(33)43)30-17-29(25-11-5-4-6-12-25)18-31(19-30)36-21-28-15-9-10-16-34(28)41-42-36;/h4-18,20-24,43H,1-3H3;/q-1;.

What are the key properties of 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum?

3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum has a molecular weight of 751.77 g/mol, XLogP of 9.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-tert-butyl-6-(3-cinnolin-3-yl-5-phenylbenzene-2-id-1-yl)-2-pyridinyl]naphthalen-2-ol;platinum is sourced from PubChem (CID 171750129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).