2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol

C66H73GeN3OSi — CID 168743741

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol (PubChem CID 168743741) has the molecular formula C66H73GeN3OSi and a molecular weight of 1025.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol
• PubChem CID: 168743741
• Molecular Formula: C66H73GeN3OSi
• Molecular Weight: 1025.03 g/mol
• Exact Mass: 1025.47
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cc([Ge](C)(C)C)cc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccccc2)c1
• InChI: InChI=1S/C66H73GeN3OSi/c1-64(2,3)50-35-48(34-49(36-50)58-38-47(32-33-68-58)43-22-18-16-19-23-43)55-41-52(67(10,11)12)42-60-61(55)69-63(56-39-51(65(4,5)6)40-57(62(56)71)66(7,8)9)70(60)59-31-28-46(37-54(59)45-24-20-17-21-25-45)44-26-29-53(30-27-44)72(13,14)15/h16-42,71H,1-15H3
• InChIKey: YJSYPGCMHNIIDC-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1025.03
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol (CID 168743741) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cc([Ge](C)(C)C)cc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc2-c2ccccc2)c1.

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol?

The InChIKey is YJSYPGCMHNIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H73GeN3OSi/c1-64(2,3)50-35-48(34-49(36-50)58-38-47(32-33-68-58)43-22-18-16-19-23-43)55-41-52(67(10,11)12)42-60-61(55)69-63(56-39-51(65(4,5)6)40-57(62(56)71)66(7,8)9)70(60)59-31-28-46(37-54(59)45-24-20-17-21-25-45)44-26-29-53(30-27-44)72(13,14)15/h16-42,71H,1-15H3.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol has a molecular weight of 1025.03 g/mol, XLogP of 17.11, 9 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-(4-phenyl-2-pyridinyl)phenyl]-1-[2-phenyl-4-(4-trimethylsilylphenyl)phenyl]-6-trimethylgermylbenzimidazol-2-yl]phenol is sourced from PubChem (CID 168743741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).