[3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane

C73H71N5OSi — CID 164749890

About [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane

[3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane (PubChem CID 164749890) has the molecular formula C73H71N5OSi and a molecular weight of 1069.53 g/mol. Its IUPAC name is [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane
• PubChem CID: 164749890
• Molecular Formula: C73H71N5OSi
• Molecular Weight: 1069.53 g/mol
• Exact Mass: 1068.59
• IUPAC Name: [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cc(N4CN(c5c(C6CCCCC6)cc(C(C)(C)C)cc5C5CCCCC5)c5ccccc54)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc1n2-c1nc2ccccc2n1C([2H])([2H])[2H]
• InChI: InChI=1S/C73H71N5OSi/c1-73(2,3)53-44-63(51-26-10-5-11-27-51)71(64(45-53)52-28-12-6-13-29-52)77-50-76(68-40-24-25-41-69(68)77)54-46-56(48-60(47-54)80(57-30-14-7-15-31-57,58-32-16-8-17-33-58)59-34-18-9-19-35-59)79-55-42-43-62-61-36-20-22-38-66(61)78(70(62)49-55)72-74-65-37-21-23-39-67(65)75(72)4/h7-9,14-25,30-49,51-52H,5-6,10-13,26-29,50H2,1-4H3/i4D3,20D,22D,36D,38D
• InChIKey: JWFLCELIAGRNIW-WDNBSISUSA-N
• XLogP: 16.48
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.53
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane?

The IUPAC name of [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane (CID 164749890) is [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane.

What is the SMILES notation for [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane?

The canonical SMILES for [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3cc(N4CN(c5c(C6CCCCC6)cc(C(C)(C)C)cc5C5CCCCC5)c5ccccc54)cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc1n2-c1nc2ccccc2n1C([2H])([2H])[2H].

What is the InChIKey of [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane?

The InChIKey is JWFLCELIAGRNIW-WDNBSISUSA-N. The full InChI is InChI=1S/C73H71N5OSi/c1-73(2,3)53-44-63(51-26-10-5-11-27-51)71(64(45-53)52-28-12-6-13-29-52)77-50-76(68-40-24-25-41-69(68)77)54-46-56(48-60(47-54)80(57-30-14-7-15-31-57,58-32-16-8-17-33-58)59-34-18-9-19-35-59)79-55-42-43-62-61-36-20-22-38-66(61)78(70(62)49-55)72-74-65-37-21-23-39-67(65)75(72)4/h7-9,14-25,30-49,51-52H,5-6,10-13,26-29,50H2,1-4H3/i4D3,20D,22D,36D,38D.

What are the key properties of [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane?

[3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane has a molecular weight of 1069.53 g/mol, XLogP of 16.48, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(4-tert-butyl-2,6-dicyclohexylphenyl)-2H-benzimidazol-1-yl]-5-[5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]carbazol-2-yl]oxyphenyl]-triphenylsilane is sourced from PubChem (CID 164749890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).