3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)

C47H35N5Pt — CID 176642920

About 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)

3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+) (PubChem CID 176642920) has the molecular formula C47H35N5Pt and a molecular weight of 864.91 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)
• PubChem CID: 176642920
• Molecular Formula: C47H35N5Pt
• Molecular Weight: 864.91 g/mol
• Exact Mass: 864.25
• IUPAC Name: 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)
• SMILES: Cc1ccc2c(c1)[n-]c1c(-c3nc4c(-c5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)cccc4n3-c3ccccc3)cc(C(C)(C)C)cc12.[Pt+2]
• InChI: InChI=1S/C47H35N5.Pt/c1-29-20-22-34-37-27-31(47(2,3)4)28-38(44(37)49-39(34)25-29)46-50-45-33(16-12-18-41(45)51(46)32-13-6-5-7-14-32)30-21-23-36-35-15-8-9-17-40(35)52(42(36)26-30)43-19-10-11-24-48-43;/h5-25,27-28H,1-4H3;/q-2;+2
• InChIKey: WYCHAIQTDIUKQE-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.91
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
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-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The IUPAC name of 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+) (CID 176642920) is 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+).

What is the SMILES notation for 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The canonical SMILES for 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+) is Cc1ccc2c(c1)[n-]c1c(-c3nc4c(-c5[c-]c6c(cc5)c5ccccc5n6-c5ccccn5)cccc4n3-c3ccccc3)cc(C(C)(C)C)cc12.[Pt+2].

What is the InChIKey of 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

The InChIKey is WYCHAIQTDIUKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N5.Pt/c1-29-20-22-34-37-27-31(47(2,3)4)28-38(44(37)49-39(34)25-29)46-50-45-33(16-12-18-41(45)51(46)32-13-6-5-7-14-32)30-21-23-36-35-15-8-9-17-40(35)52(42(36)26-30)43-19-10-11-24-48-43;/h5-25,27-28H,1-4H3;/q-2;+2.

What are the key properties of 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+)?

3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+) has a molecular weight of 864.91 g/mol, XLogP of 11.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-7-methyl-1-[1-phenyl-4-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;platinum(2+) is sourced from PubChem (CID 176642920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).