[3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane

C80H84GeN4O — CID 168743428

About [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane

[3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane (PubChem CID 168743428) has the molecular formula C80H84GeN4O and a molecular weight of 1228.42 g/mol. Its IUPAC name is [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane.

Molecular Properties

• Compound Name: [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane
• PubChem CID: 168743428
• Molecular Formula: C80H84GeN4O
• Molecular Weight: 1228.42 g/mol
• Exact Mass: 1228.82
• IUPAC Name: [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-[n+]1[c-]n(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc([Ge](C)(C)C)c3)c3cc4c(cc31)-c1ccccc1C4(C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: InChI=1S/C80H84GeN4O/c1-75(2,3)52-34-39-82-73(42-52)85-69-27-20-18-23-60(69)61-31-30-55(46-70(61)85)86-56-44-53(81(14,15)16)43-54(45-56)83-49-84(71-47-62-59-22-17-19-26-63(59)80(12,13)66(62)48-72(71)83)74-57(50-28-32-64-67(40-50)78(8,9)37-35-76(64,4)5)24-21-25-58(74)51-29-33-65-68(41-51)79(10,11)38-36-77(65,6)7/h17-34,39-48H,35-38H2,1-16H3/i4D3,5D3,6D3,7D3,8D3,9D3,10D3,11D3,28D,29D,32D,33D,35D2,36D2,37D2,38D2,40D,41D
• InChIKey: DOMIURZPMDMBHD-MJSQYPFDSA-N
• XLogP: 20.17
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1228.42
LogP ≤ 5	20.17
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-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane?

The IUPAC name of [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane (CID 168743428) is [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane.

What is the SMILES notation for [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane?

The canonical SMILES for [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c1-[n+]1[c-]n(-c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc([Ge](C)(C)C)c3)c3cc4c(cc31)-c1ccccc1C4(C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C2(C([2H])([2H])[2H])C([2H])([2H])[2H].

What is the InChIKey of [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane?

The InChIKey is DOMIURZPMDMBHD-MJSQYPFDSA-N. The full InChI is InChI=1S/C80H84GeN4O/c1-75(2,3)52-34-39-82-73(42-52)85-69-27-20-18-23-60(69)61-31-30-55(46-70(61)85)86-56-44-53(81(14,15)16)43-54(45-56)83-49-84(71-47-62-59-22-17-19-26-63(59)80(12,13)66(62)48-72(71)83)74-57(50-28-32-64-67(40-50)78(8,9)37-35-76(64,4)5)24-21-25-58(74)51-29-33-65-68(41-51)79(10,11)38-36-77(65,6)7/h17-34,39-48H,35-38H2,1-16H3/i4D3,5D3,6D3,7D3,8D3,9D3,10D3,11D3,28D,29D,32D,33D,35D2,36D2,37D2,38D2,40D,41D.

What are the key properties of [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane?

[3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane has a molecular weight of 1228.42 g/mol, XLogP of 20.17, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[2,6-bis[1,3,4,6,6,7,7-heptadeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-9,9-dimethyl-2H-indeno[1,2-f]benzimidazol-3-ium-2-id-1-yl]-5-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-trimethylgermane is sourced from PubChem (CID 168743428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).