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

C61H52GeN4O — CID 168743788

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

[3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane (PubChem CID 168743788) has the molecular formula C61H52GeN4O and a molecular weight of 939.79 g/mol. Its IUPAC name is [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane.

Molecular Properties

• Compound Name: [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane
• PubChem CID: 168743788
• Molecular Formula: C61H52GeN4O
• Molecular Weight: 939.79 g/mol
• Exact Mass: 940.40
• IUPAC Name: [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3cccc(Oc4ccc5c6cc(-c7cccc([Ge](C)(C)C)c7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C61H52GeN4O/c1-61(2,3)46-34-35-63-59(38-46)66-55-33-30-45(44-22-15-23-47(36-44)62(4,5)6)37-54(55)53-32-31-50(40-58(53)66)67-49-25-16-24-48(39-49)64-41-65(57-29-14-13-28-56(57)64)60-51(42-18-9-7-10-19-42)26-17-27-52(60)43-20-11-8-12-21-43/h7-40H,1-6H3/i7D,8D,9D,10D,11D,12D,18D,19D,20D,21D
• InChIKey: GVVQVBPCKZNZTC-SJKKTSMNSA-N
• XLogP: 14.84
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.79
LogP ≤ 5	14.84
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 [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane?

The IUPAC name of [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane (CID 168743788) is [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane.

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

The canonical SMILES for [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2-[n+]2[c-]n(-c3cccc(Oc4ccc5c6cc(-c7cccc([Ge](C)(C)C)c7)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c1[2H].

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

The InChIKey is GVVQVBPCKZNZTC-SJKKTSMNSA-N. The full InChI is InChI=1S/C61H52GeN4O/c1-61(2,3)46-34-35-63-59(38-46)66-55-33-30-45(44-22-15-23-47(36-44)62(4,5)6)37-54(55)53-32-31-50(40-58(53)66)67-49-25-16-24-48(39-49)64-41-65(57-29-14-13-28-56(57)64)60-51(42-18-9-7-10-19-42)26-17-27-52(60)43-20-11-8-12-21-43/h7-40H,1-6H3/i7D,8D,9D,10D,11D,12D,18D,19D,20D,21D.

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

[3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane has a molecular weight of 939.79 g/mol, XLogP of 14.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[7-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazol-3-yl]phenyl]-trimethylgermane is sourced from PubChem (CID 168743788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).