[9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)

C43H39GeN4OPt+ — CID 168743709

About [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)

[9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+) (PubChem CID 168743709) has the molecular formula C43H39GeN4OPt+ and a molecular weight of 895.50 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+).

Molecular Properties

• Compound Name: [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)
• PubChem CID: 168743709
• Molecular Formula: C43H39GeN4OPt+
• Molecular Weight: 895.50 g/mol
• Exact Mass: 896.20
• IUPAC Name: [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c[n+](-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt+2]
• InChI: InChI=1S/C43H39GeN4O.Pt/c1-43(2,3)30-23-24-45-42(25-30)48-38-22-19-31(44(4,5)6)26-37(38)36-21-20-35(28-41(36)48)49-34-16-12-15-33(27-34)47-29-46(32-13-8-7-9-14-32)39-17-10-11-18-40(39)47;/h7-26,29H,1-6H3;/q-1;+2
• InChIKey: HEWRMAIAJYUMHT-UHFFFAOYSA-N
• XLogP: 9.63
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.50
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)?

The IUPAC name of [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+) (CID 168743709) is [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+).

What is the SMILES notation for [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)?

The canonical SMILES for [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+) is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5c[n+](-c6ccccc6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt+2].

What is the InChIKey of [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)?

The InChIKey is HEWRMAIAJYUMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39GeN4O.Pt/c1-43(2,3)30-23-24-45-42(25-30)48-38-22-19-31(44(4,5)6)26-37(38)36-21-20-35(28-41(36)48)49-34-16-12-15-33(27-34)47-29-46(32-13-8-7-9-14-32)39-17-10-11-18-40(39)47;/h7-26,29H,1-6H3;/q-1;+2.

What are the key properties of [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+)?

[9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+) has a molecular weight of 895.50 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenylbenzimidazol-3-ium-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum(2+) is sourced from PubChem (CID 168743709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).