10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)

C52H35N5OPt — CID 176643291

About 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)

10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+) (PubChem CID 176643291) has the molecular formula C52H35N5OPt and a molecular weight of 940.96 g/mol. Its IUPAC name is 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+).

Molecular Properties

• Compound Name: 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)
• PubChem CID: 176643291
• Molecular Formula: C52H35N5OPt
• Molecular Weight: 940.96 g/mol
• Exact Mass: 940.25
• IUPAC Name: 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4cc7c(cc46)oc4ccccc47)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2c1.[Pt+2]
• InChI: InChI=1S/C52H35N5O.Pt/c1-52(2,3)32-23-25-36-35-24-22-31(27-44(35)57(45(36)28-32)48-21-9-10-26-53-48)34-16-12-19-43-50(34)55-51(56(43)33-13-5-4-6-14-33)39-18-11-17-38-40-30-47-41(29-42(40)54-49(38)39)37-15-7-8-20-46(37)58-47;/h4-26,28-30H,1-3H3;/q-2;+2
• InChIKey: CLMFBMDLKYLSJS-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.96
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)?

The IUPAC name of 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+) (CID 176643291) is 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+).

What is the SMILES notation for 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)?

The canonical SMILES for 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+) is CC(C)(C)c1ccc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[n-]c4cc7c(cc46)oc4ccccc47)n5-c4ccccc4)[c-]c3n(-c3ccccn3)c2c1.[Pt+2].

What is the InChIKey of 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)?

The InChIKey is CLMFBMDLKYLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5O.Pt/c1-52(2,3)32-23-25-36-35-24-22-31(27-44(35)57(45(36)28-32)48-21-9-10-26-53-48)34-16-12-19-43-50(34)55-51(56(43)33-13-5-4-6-14-33)39-18-11-17-38-40-30-47-41(29-42(40)54-49(38)39)37-15-7-8-20-46(37)58-47;/h4-26,28-30H,1-3H3;/q-2;+2.

What are the key properties of 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+)?

10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+) has a molecular weight of 940.96 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(7-tert-butyl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1-phenylbenzimidazol-2-yl]-[1]benzofuro[3,2-b]carbazol-11-ide;platinum(2+) is sourced from PubChem (CID 176643291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).