2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)

C42H33N3Pt — CID 153429132

About 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)

2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) (PubChem CID 153429132) has the molecular formula C42H33N3Pt and a molecular weight of 774.83 g/mol. Its IUPAC name is 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
• PubChem CID: 153429132
• Molecular Formula: C42H33N3Pt
• Molecular Weight: 774.83 g/mol
• Exact Mass: 774.23
• IUPAC Name: 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc4-c4ccccc43)ccc2)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C42H33N3.Pt/c1-41(2,3)30-23-24-43-38(27-30)28-13-11-15-31(25-28)42(35-19-7-5-17-33(35)34-18-6-8-20-36(34)42)32-16-12-14-29(26-32)40-44-37-21-9-10-22-39(37)45(40)4;/h5-24,27H,1-4H3;/q-2;+2
• InChIKey: BQJNWLACEZMZGA-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.83
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The IUPAC name of 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) (CID 153429132) is 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+).

What is the SMILES notation for 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The canonical SMILES for 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) is Cn1c(-c2[c-]c(C3(c4[c-]c(-c5cc(C(C)(C)C)ccn5)ccc4)c4ccccc4-c4ccccc43)ccc2)nc2ccccc21.[Pt+2].

What is the InChIKey of 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

The InChIKey is BQJNWLACEZMZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3.Pt/c1-41(2,3)30-23-24-43-38(27-30)28-13-11-15-31(25-28)42(35-19-7-5-17-33(35)34-18-6-8-20-36(34)42)32-16-12-14-29(26-32)40-44-37-21-9-10-22-39(37)45(40)4;/h5-24,27H,1-4H3;/q-2;+2.

What are the key properties of 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)?

2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) has a molecular weight of 774.83 g/mol, XLogP of 9.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+) is sourced from PubChem (CID 153429132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).