2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

C67H79GeN3O — CID 172528305

IUPAC2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC[Ge]1(CC)c2cc(CC(C)(C)C)ccc2-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C67H79GeN3O/c1-18-68(19-2)55-34-42(41-63(3,4)5)28-30-50(55)51-32-33-69-59(58(51)68)45-35-44(36-47(37-45)65(9,10)11)49-26-23-27-57-60(49)70-62(53-39-48(66(12,13)14)40-54(61(53)72)67(15,16)17)71(57)56-31-29-46(64(6,7)8)38-52(56)43-24-21-20-22-25-43/h20-40,72H,18-19,41H2,1-17H3
InChIKeyVIDKLEYUKZWPIQ-UHFFFAOYSA-N
MW1015.00 g/mol
LogP17.16
Rot. Bonds8

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (PubChem CID 172528305) has the molecular formula C67H79GeN3O and a molecular weight of 1015.00 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
PubChem CID172528305
Molecular FormulaC67H79GeN3O
Molecular Weight1015.00 g/mol
Exact Mass1015.54
IUPAC Name2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
SMILESCC[Ge]1(CC)c2cc(CC(C)(C)C)ccc2-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c21
InChIInChI=1S/C67H79GeN3O/c1-18-68(19-2)55-34-42(41-63(3,4)5)28-30-50(55)51-32-33-69-59(58(51)68)45-35-44(36-47(37-45)65(9,10)11)49-26-23-27-57-60(49)70-62(53-39-48(66(12,13)14)40-54(61(53)72)67(15,16)17)71(57)56-31-29-46(64(6,7)8)38-52(56)43-24-21-20-22-25-43/h20-40,72H,18-19,41H2,1-17H3
InChIKeyVIDKLEYUKZWPIQ-UHFFFAOYSA-N
XLogP17.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.00
LogP ≤ 517.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol with MolForge

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Related Compounds

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-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 164713104
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-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(6-propan-2-ylisoquinolin-1-yl)phenyl]benzimidazol-2-yl]phenol;platinum
CID 175405410
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-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(27-thia-24-azahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-1(20),2,4,6,8,10,12,14,16,18,21(26),22,24-tridecaen-25-yl)phenyl]benzimidazol-2-yl]phenol
CID 168811488
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-[1-(2,4-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831896
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
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-[4-[3-tert-butyl-5-(9,9-dimethyl-7-phenylindeno[2,1-c]pyridin-3-yl)phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 162783692

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol (CID 172528305) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is CC[Ge]1(CC)c2cc(CC(C)(C)C)ccc2-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c21.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
The InChIKey is VIDKLEYUKZWPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H79GeN3O/c1-18-68(19-2)55-34-42(41-63(3,4)5)28-30-50(55)51-32-33-69-59(58(51)68)45-35-44(36-47(37-45)65(9,10)11)49-26-23-27-57-60(49)70-62(53-39-48(66(12,13)14)40-54(61(53)72)67(15,16)17)71(57)56-31-29-46(64(6,7)8)38-52(56)43-24-21-20-22-25-43/h20-40,72H,18-19,41H2,1-17H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 1015.00 g/mol, XLogP of 17.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 172528305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).