2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol

C66H60N4OSi — CID 172504678

IUPAC2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c(c4)-n4c6ncccc6c6cccc(c64)[Si]5(c4ccccc4)c4ccccc4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C66H60N4OSi/c1-64(2,3)44-34-35-54(51(39-44)42-22-13-10-14-23-42)69-55-31-19-28-48(59(55)68-63(69)52-40-45(65(4,5)6)41-53(61(52)71)66(7,8)9)43-33-36-57-56(38-43)70-60-49(50-30-21-37-67-62(50)70)29-20-32-58(60)72(57,46-24-15-11-16-25-46)47-26-17-12-18-27-47/h10-41,71H,1-9H3
InChIKeyUNWHMAJFAGHDKN-UHFFFAOYSA-N
MW953.32 g/mol
LogP13.81
Rot. Bonds6

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol (PubChem CID 172504678) has the molecular formula C66H60N4OSi and a molecular weight of 953.32 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol
PubChem CID172504678
Molecular FormulaC66H60N4OSi
Molecular Weight953.32 g/mol
Exact Mass952.45
IUPAC Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol
SMILESCC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c(c4)-n4c6ncccc6c6cccc(c64)[Si]5(c4ccccc4)c4ccccc4)cccc32)c(-c2ccccc2)c1
InChIInChI=1S/C66H60N4OSi/c1-64(2,3)44-34-35-54(51(39-44)42-22-13-10-14-23-42)69-55-31-19-28-48(59(55)68-63(69)52-40-45(65(4,5)6)41-53(61(52)71)66(7,8)9)43-33-36-57-56(38-43)70-60-49(50-30-21-37-67-62(50)70)29-20-32-58(60)72(57,46-24-15-11-16-25-46)47-26-17-12-18-27-47/h10-41,71H,1-9H3
InChIKeyUNWHMAJFAGHDKN-UHFFFAOYSA-N
XLogP13.81
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.32
LogP ≤ 513.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
CID 164823623
CID 172504627
CID 172504627
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831896
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 153476868
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 177093891
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13,14,14-tetramethyl-1,9-diazahexacyclo[10.9.2.02,7.08,23.015,22.016,21]tricosa-2(7),3,5,8,10,12(23),15(22),16,18,20-decaen-5-yl)benzimidazol-2-yl]phenol
CID 177120018
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-(2,4-diphenylphenyl)benzimidazol-2-yl]phenol
CID 140833244
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(5-deuterio-4-phenyl-2-pyridinyl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 171425050
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-fluorophenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164518281
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153477494

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol (CID 172504678) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4ccc5c(c4)-n4c6ncccc6c6cccc(c64)[Si]5(c4ccccc4)c4ccccc4)cccc32)c(-c2ccccc2)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol?
The InChIKey is UNWHMAJFAGHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N4OSi/c1-64(2,3)44-34-35-54(51(39-44)42-22-13-10-14-23-42)69-55-31-19-28-48(59(55)68-63(69)52-40-45(65(4,5)6)41-53(61(52)71)66(7,8)9)43-33-36-57-56(38-43)70-60-49(50-30-21-37-67-62(50)70)29-20-32-58(60)72(57,46-24-15-11-16-25-46)47-26-17-12-18-27-47/h10-41,71H,1-9H3.
What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol has a molecular weight of 953.32 g/mol, XLogP of 13.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(13,13-diphenyl-1,3-diaza-13-silapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-17-yl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 172504678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).