bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine

C60H50N6O2Pt2-2 — CID 177296292

About bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine

bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine (PubChem CID 177296292) has the molecular formula C60H50N6O2Pt2-2 and a molecular weight of 1277.26 g/mol. Its IUPAC name is bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine.

Molecular Properties

• Compound Name: bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine
• PubChem CID: 177296292
• Molecular Formula: C60H50N6O2Pt2-2
• Molecular Weight: 1277.26 g/mol
• Exact Mass: 1276.33
• IUPAC Name: bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine
• SMILES: CC(C)c1ccnc(-c2[c-]cc(-c3cc(C(C)C)ccn3)[c-]c2)c1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.[Pt].[Pt]
• InChI: InChI=1S/C22H22N2.2C19H14N2O.2Pt/c1-15(2)19-9-11-23-21(13-19)17-5-7-18(8-6-17)22-14-20(16(3)4)10-12-24-22;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;;/h5,8-16H,1-4H3;2*1-13,22H;;/q-2
• InChIKey: PVUMLBZELREGPF-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 101.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1277.26
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine?

The IUPAC name of bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine (CID 177296292) is bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine.

What is the SMILES notation for bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine?

The canonical SMILES for bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine is CC(C)c1ccnc(-c2[c-]cc(-c3cc(C(C)C)ccn3)[c-]c2)c1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.Oc1ccccc1-c1nc2ccccc2n1-c1ccccc1.[Pt].[Pt].

What is the InChIKey of bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine?

The InChIKey is PVUMLBZELREGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2.2C19H14N2O.2Pt/c1-15(2)19-9-11-23-21(13-19)17-5-7-18(8-6-17)22-14-20(16(3)4)10-12-24-22;2*22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;;/h5,8-16H,1-4H3;2*1-13,22H;;/q-2;;;;.

What are the key properties of bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine?

bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine has a molecular weight of 1277.26 g/mol, XLogP of 14.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1-phenylbenzimidazol-2-yl)phenol);platinum;4-propan-2-yl-2-[4-(4-propan-2-yl-2-pyridinyl)benzene-3,6-diid-1-yl]pyridine is sourced from PubChem (CID 177296292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).