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

C73H52N4OSi — CID 177066900

IUPAC14,14-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
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3c4c(c(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7-c7ccccc7)c7ccccc76)c5)cc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)c1
InChIInChI=1S/C73H52N4OSi/c1-50-44-45-74-69(46-50)77-63-40-18-16-36-61(63)70-66(77)48-67(73-71(70)62-37-17-21-43-68(62)79(73,55-30-10-4-11-31-55)56-32-12-5-13-33-56)78-54-29-22-28-53(47-54)75-49-76(65-42-20-19-41-64(65)75)72-58(52-26-8-3-9-27-52)38-23-39-60(72)59-35-15-14-34-57(59)51-24-6-2-7-25-51/h2-48H,49H2,1H3/i1D3
InChIKeyOJDFWFYAANMOFG-FIBGUPNXSA-N
MW1032.35 g/mol
LogP15.89
Rot. Bonds11

About 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

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 (PubChem CID 177066900) has the molecular formula C73H52N4OSi and a molecular weight of 1032.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14,14-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
PubChem CID177066900
Molecular FormulaC73H52N4OSi
Molecular Weight1032.35 g/mol
Exact Mass1031.41
IUPAC Name14,14-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
SMILES[2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3c4c(c(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7-c7ccccc7)c7ccccc76)c5)cc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)c1
InChIInChI=1S/C73H52N4OSi/c1-50-44-45-74-69(46-50)77-63-40-18-16-36-61(63)70-66(77)48-67(73-71(70)62-37-17-21-43-68(62)79(73,55-30-10-4-11-31-55)56-32-12-5-13-33-56)78-54-29-22-28-53(47-54)75-49-76(65-42-20-19-41-64(65)75)72-58(52-26-8-3-9-27-52)38-23-39-60(72)59-35-15-14-34-57(59)51-24-6-2-7-25-51/h2-48H,49H2,1H3/i1D3
InChIKeyOJDFWFYAANMOFG-FIBGUPNXSA-N
XLogP15.89
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001032.35
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-[4-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-2-pyridinyl]carbazole
CID 166007105
5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 170677138
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-1-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169065936
3-[3-[3-[2,6-bis(2-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-5-(4-tert-butyl-2-pyridinyl)-7-phenylindolo[2,3-b]carbazole
CID 170677073
2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082941
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
2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 176784106
9-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-(4-propan-2-yl-2-pyridinyl)-1,6-diazaoctacyclo[19.10.1.02,14.05,13.07,12.015,20.025,32.026,31]dotriaconta-2(14),3,5(13),7(12),8,10,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 171576416
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606
2-[3-[3-[4-tert-butyl-2-(4-tert-butylphenyl)-6-[4-(3-tert-butylphenyl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(trideuteriomethyl)-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 177082994
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 167401631
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3c4c(c(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7-c7ccccc7)c7ccccc76)c5)cc32)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-4)c1.
What is the InChIKey of 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?
The InChIKey is OJDFWFYAANMOFG-FIBGUPNXSA-N. The full InChI is InChI=1S/C73H52N4OSi/c1-50-44-45-74-69(46-50)77-63-40-18-16-36-61(63)70-66(77)48-67(73-71(70)62-37-17-21-43-68(62)79(73,55-30-10-4-11-31-55)56-32-12-5-13-33-56)78-54-29-22-28-53(47-54)75-49-76(65-42-20-19-41-64(65)75)72-58(52-26-8-3-9-27-52)38-23-39-60(72)59-35-15-14-34-57(59)51-24-6-2-7-25-51/h2-48H,49H2,1H3/i1D3.
What are the key properties of 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?
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 has a molecular weight of 1032.35 g/mol, XLogP of 15.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177066900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).