6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C47H35N5Pt — CID 176643113

About 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 176643113) has the molecular formula C47H35N5Pt and a molecular weight of 864.91 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 176643113
• Molecular Formula: C47H35N5Pt
• Molecular Weight: 864.91 g/mol
• Exact Mass: 864.25
• IUPAC Name: 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1ccc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4ccccn4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c12.[Pt+2]
• InChI: InChI=1S/C47H35N5.Pt/c1-29-20-23-36(45-43(29)35-15-8-9-17-38(35)49-45)46-50-44-33(16-12-18-40(44)51(46)32-13-6-5-7-14-32)30-21-24-34-37-28-31(47(2,3)4)22-25-39(37)52(41(34)27-30)42-19-10-11-26-48-42;/h5-26,28H,1-4H3;/q-2;+2
• InChIKey: LKHDQLCGXHUBIB-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 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 176643113) is 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1ccc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4ccccn4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c12.[Pt+2].

What is the InChIKey of 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

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

What are the key properties of 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-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 6-tert-butyl-2-[2-(4-methylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 176643113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).