2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol

C74H60N4OSi — CID 176796235

IUPAC2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2O)nc2c(-c3cccc(-c4nc5ccccc5n4-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C74H60N4OSi/c1-50(2)63-47-56(52-26-10-5-11-27-52)48-64(51(3)4)72(63)78-69-42-25-39-61(71(69)76-74(78)62-38-20-23-43-70(62)79)54-30-24-31-55(46-54)73-75-66-40-21-22-41-68(66)77(73)67-45-44-60(49-65(67)53-28-12-6-13-29-53)80(57-32-14-7-15-33-57,58-34-16-8-17-35-58)59-36-18-9-19-37-59/h5-51,79H,1-4H3
InChIKeyBXPUVSHIDISMCM-UHFFFAOYSA-N
MW1049.41 g/mol
LogP16.03
Rot. Bonds13

About 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 176796235) has the molecular formula C74H60N4OSi and a molecular weight of 1049.41 g/mol. Its IUPAC name is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
PubChem CID176796235
Molecular FormulaC74H60N4OSi
Molecular Weight1049.41 g/mol
Exact Mass1048.45
IUPAC Name2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2O)nc2c(-c3cccc(-c4nc5ccccc5n4-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4ccccc4)c3)cccc21
InChIInChI=1S/C74H60N4OSi/c1-50(2)63-47-56(52-26-10-5-11-27-52)48-64(51(3)4)72(63)78-69-42-25-39-61(71(69)76-74(78)62-38-20-23-43-70(62)79)54-30-24-31-55(46-54)73-75-66-40-21-22-41-68(66)77(73)67-45-44-60(49-65(67)53-28-12-6-13-29-53)80(57-32-14-7-15-33-57,58-34-16-8-17-35-58)59-36-18-9-19-37-59/h5-51,79H,1-4H3
InChIKeyBXPUVSHIDISMCM-UHFFFAOYSA-N
XLogP16.03
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.41
LogP ≤ 516.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-5-trimethylsilylbenzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 176796279
2-[1-[2,6-bis(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]-4-[3-[1-[2-(2-deuteriopropan-2-yl)-6-(1,1,1,2-tetradeuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol
CID 159318889
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]benzimidazole;2-[4-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenol
CID 171438845
2-[4-[3-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]-5-phenylphenyl]-1-[4-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-phenylphenyl]benzimidazol-2-yl]phenol
CID 153479009
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[3-[1-(4-tert-butyl-2-phenylphenyl)-2-(2-hydroxyphenyl)benzimidazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]benzimidazol-2-yl]phenol
CID 176622942
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-propan-2-ylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420122
deuterium monohydride;2-[4-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;platinum
CID 159670706
2-[1-[2,6-di(propan-2-yl)phenyl]-4-[3-(7-methylisoquinolin-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 171420114
2-[4-bis(2,4,6-trimethylphenyl)boranyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176796273
2-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 171461671
2-[4-[3-tert-butyl-5-[4-[4-(2-deuteriopropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153479407
2-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-4-(6-pyrido[2,3-b]indol-9-yl-2-pyridinyl)benzimidazol-2-yl]phenol
CID 167388193

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol (CID 176796235) is 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2ccccc2O)nc2c(-c3cccc(-c4nc5ccccc5n4-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4-c4ccccc4)c3)cccc21.
What is the InChIKey of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?
The InChIKey is BXPUVSHIDISMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N4OSi/c1-50(2)63-47-56(52-26-10-5-11-27-52)48-64(51(3)4)72(63)78-69-42-25-39-61(71(69)76-74(78)62-38-20-23-43-70(62)79)54-30-24-31-55(46-54)73-75-66-40-21-22-41-68(66)77(73)67-45-44-60(49-65(67)53-28-12-6-13-29-53)80(57-32-14-7-15-33-57,58-34-16-8-17-35-58)59-36-18-9-19-37-59/h5-51,79H,1-4H3.
What are the key properties of 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol?
2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 1049.41 g/mol, XLogP of 16.03, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-[3-[1-(2-phenyl-4-triphenylsilylphenyl)benzimidazol-2-yl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 176796235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).