5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine

C56H43N3OSi — CID 162302038

IUPAC5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
SMILES[2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c(c4)-c4ncccc4[Si]5(c4ccccc4)c4ccccc4)c3)c3ccccc32)c([2H])c([2H])c1C
InChIInChI=1S/C56H43N3OSi/c1-39-25-29-41(30-26-39)48-20-12-21-49(42-31-27-40(2)28-32-42)56(48)59-38-58(51-22-9-10-23-52(51)59)43-14-11-15-44(36-43)60-45-33-34-53-50(37-45)55-54(24-13-35-57-55)61(53,46-16-5-3-6-17-46)47-18-7-4-8-19-47/h3-37H,38H2,1-2H3/i1D3,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyBZQTXBVQLXXURN-VLGIEXRJSA-N
MW813.13 g/mol
LogP11.43
Rot. Bonds9

About 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine

5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine (PubChem CID 162302038) has the molecular formula C56H43N3OSi and a molecular weight of 813.13 g/mol. Its IUPAC name is 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine.

Molecular Properties

Compound Name5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
PubChem CID162302038
Molecular FormulaC56H43N3OSi
Molecular Weight813.13 g/mol
Exact Mass812.39
IUPAC Name5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
SMILES[2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c(c4)-c4ncccc4[Si]5(c4ccccc4)c4ccccc4)c3)c3ccccc32)c([2H])c([2H])c1C
InChIInChI=1S/C56H43N3OSi/c1-39-25-29-41(30-26-39)48-20-12-21-49(42-31-27-40(2)28-32-42)56(48)59-38-58(51-22-9-10-23-52(51)59)43-14-11-15-44(36-43)60-45-33-34-53-50(37-45)55-54(24-13-35-57-55)61(53,46-16-5-3-6-17-46)47-18-7-4-8-19-47/h3-37H,38H2,1-2H3/i1D3,25D,26D,27D,28D,29D,30D,31D,32D
InChIKeyBZQTXBVQLXXURN-VLGIEXRJSA-N
XLogP11.43
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.13
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine with MolForge

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Related Compounds

5,5-diphenyl-8-[3-[3-(2-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine
CID 162274048
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
14,14-diphenyl-12-[3-[3-[2-phenyl-6-(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]-9-aza-14-silapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 177066900
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-yl-6-(2,3,5,6-tetradeuterio-4-methylphenyl)carbazole
CID 158273463
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]carbazole
CID 171721554
9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
7-[3-[3-[2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuteriocarbazole
CID 170780447
8,14-diphenyl-N-pyridin-2-yl-N-[3-[3-[3-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-amine
CID 156686368
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-10-(4-tert-butyl-2-pyridinyl)-5-phenylindolo[3,2-b]indole
CID 169031374
23-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-29-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14(19),15,17,21(26),22,24,27,29-pentadecaene
CID 171460139
9-(5-tert-butyl-2-pyridinyl)-1,2,3,4-tetradeuterio-7-[3-[3-[2-phenyl-6-[2-(trideuteriomethyl)-4-[2-(trideuteriomethyl)phenyl]phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 177082892
2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170780463

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine?
The IUPAC name of 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine (CID 162302038) is 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine.
What is the SMILES notation for 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine?
The canonical SMILES for 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine is [2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4ccc5c(c4)-c4ncccc4[Si]5(c4ccccc4)c4ccccc4)c3)c3ccccc32)c([2H])c([2H])c1C.
What is the InChIKey of 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine?
The InChIKey is BZQTXBVQLXXURN-VLGIEXRJSA-N. The full InChI is InChI=1S/C56H43N3OSi/c1-39-25-29-41(30-26-39)48-20-12-21-49(42-31-27-40(2)28-32-42)56(48)59-38-58(51-22-9-10-23-52(51)59)43-14-11-15-44(36-43)60-45-33-34-53-50(37-45)55-54(24-13-35-57-55)61(53,46-16-5-3-6-17-46)47-18-7-4-8-19-47/h3-37H,38H2,1-2H3/i1D3,25D,26D,27D,28D,29D,30D,31D,32D.
What are the key properties of 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine?
5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine has a molecular weight of 813.13 g/mol, XLogP of 11.43, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-8-[3-[3-[2-(2,3,5,6-tetradeuterio-4-methylphenyl)-6-[2,3,5,6-tetradeuterio-4-(trideuteriomethyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-[1]benzosilolo[3,2-b]pyridine is sourced from PubChem (CID 162302038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).