6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

C48H33N7Pt — CID 169077371

About 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)

6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (PubChem CID 169077371) has the molecular formula C48H33N7Pt and a molecular weight of 902.92 g/mol. Its IUPAC name is 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

Molecular Properties

• Compound Name: 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• PubChem CID: 169077371
• Molecular Formula: C48H33N7Pt
• Molecular Weight: 902.92 g/mol
• Exact Mass: 902.24
• IUPAC Name: 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)
• SMILES: CC(C)(C)c1ccc2c(c1)nc1n(-c3[c-]c(-n4c5[c-]c(-n6c7ccccc7n7c8ccccc8nc67)ccc5c5ccccc54)ccc3)c3ccccc3n21.[Pt+2]
• InChI: InChI=1S/C48H33N7.Pt/c1-48(2,3)30-23-26-40-37(27-30)50-47-52(41-19-8-11-22-44(41)55(40)47)32-14-12-13-31(28-32)51-38-17-6-4-15-34(38)35-25-24-33(29-45(35)51)53-42-20-9-10-21-43(42)54-39-18-7-5-16-36(39)49-46(53)54;/h4-27H,1-3H3;/q-2;+2
• InChIKey: OXQLCMVDSLGJTL-UHFFFAOYSA-N
• XLogP: 11.17
• TPSA: 49.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.92
LogP ≤ 5	11.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The IUPAC name of 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) (CID 169077371) is 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+).

What is the SMILES notation for 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The canonical SMILES for 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is CC(C)(C)c1ccc2c(c1)nc1n(-c3[c-]c(-n4c5[c-]c(-n6c7ccccc7n7c8ccccc8nc67)ccc5c5ccccc54)ccc3)c3ccccc3n21.[Pt+2].

What is the InChIKey of 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

The InChIKey is OXQLCMVDSLGJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N7.Pt/c1-48(2,3)30-23-26-40-37(27-30)50-47-52(41-19-8-11-22-44(41)55(40)47)32-14-12-13-31(28-32)51-38-17-6-4-15-34(38)35-25-24-33(29-45(35)51)53-42-20-9-10-21-43(42)54-39-18-7-5-16-36(39)49-46(53)54;/h4-27H,1-3H3;/q-2;+2.

What are the key properties of 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+)?

6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) has a molecular weight of 902.92 g/mol, XLogP of 11.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-tert-butylbenzimidazolo[1,2-a]benzimidazole;platinum(2+) is sourced from PubChem (CID 169077371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).