[4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum

C61H50GeN4OPt-2 — CID 168743642

About [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum

[4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum (PubChem CID 168743642) has the molecular formula C61H50GeN4OPt-2 and a molecular weight of 1132.85 g/mol. Its IUPAC name is [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum.

Molecular Properties

• Compound Name: [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum
• PubChem CID: 168743642
• Molecular Formula: C61H50GeN4OPt-2
• Molecular Weight: 1132.85 g/mol
• Exact Mass: 1133.35
• IUPAC Name: [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc([Ge](C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C61H50GeN4O.Pt/c1-61(2,3)46-35-36-63-59(38-46)66-55-34-29-45(42-27-30-47(31-28-42)62(4,5)6)37-54(55)53-33-32-50(40-58(53)66)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;/h7-38H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D
• InChIKey: MFHBGILWJXEQFV-UTZUWJBHSA-N
• XLogP: 14.43
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1132.85
LogP ≤ 5	14.43
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 [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum?

The IUPAC name of [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum (CID 168743642) is [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum.

What is the SMILES notation for [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum?

The canonical SMILES for [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccc([Ge](C)(C)C)cc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

What is the InChIKey of [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum?

The InChIKey is MFHBGILWJXEQFV-UTZUWJBHSA-N. The full InChI is InChI=1S/C61H50GeN4O.Pt/c1-61(2,3)46-35-36-63-59(38-46)66-55-34-29-45(42-27-30-47(31-28-42)62(4,5)6)37-54(55)53-33-32-50(40-58(53)66)67-49-22-15-21-48(39-49)64-41-65(57-26-14-13-25-56(57)64)60-51(43-17-9-7-10-18-43)23-16-24-52(60)44-19-11-8-12-20-44;/h7-38H,1-6H3;/q-2;/i7D,8D,9D,10D,11D,12D,17D,18D,19D,20D;.

What are the key properties of [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum?

[4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum has a molecular weight of 1132.85 g/mol, XLogP of 14.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]phenyl]-trimethylgermane;platinum is sourced from PubChem (CID 168743642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).