2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol

C52H50N4OSi — CID 140831990

About 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol

2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol (PubChem CID 140831990) has the molecular formula C52H50N4OSi and a molecular weight of 775.09 g/mol. Its IUPAC name is 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol
• PubChem CID: 140831990
• Molecular Formula: C52H50N4OSi
• Molecular Weight: 775.09 g/mol
• Exact Mass: 774.38
• IUPAC Name: 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol
• SMILES: Cc1cc(C)c(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5cc(CC(C)C)c([Si](C)(C)C)cn5)cc(-n5c6ccccc6c6ccccc65)c4)cccc32)c(C)c1
• InChI: InChI=1S/C52H50N4OSi/c1-32(2)24-38-30-44(53-31-49(38)58(6,7)8)37-27-36(28-39(29-37)55-45-20-12-9-16-41(45)42-17-10-13-21-46(42)55)40-19-15-22-47-50(40)54-52(43-18-11-14-23-48(43)57)56(47)51-34(4)25-33(3)26-35(51)5/h9-23,25-32,57H,24H2,1-8H3
• InChIKey: LWOYQMQQRRMLAM-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.09
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol?

The IUPAC name of 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol (CID 140831990) is 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol is Cc1cc(C)c(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5cc(CC(C)C)c([Si](C)(C)C)cn5)cc(-n5c6ccccc6c6ccccc65)c4)cccc32)c(C)c1.

What is the InChIKey of 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol?

The InChIKey is LWOYQMQQRRMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N4OSi/c1-32(2)24-38-30-44(53-31-49(38)58(6,7)8)37-27-36(28-39(29-37)55-45-20-12-9-16-41(45)42-17-10-13-21-46(42)55)40-19-15-22-47-50(40)54-52(43-18-11-14-23-48(43)57)56(47)51-34(4)25-33(3)26-35(51)5/h9-23,25-32,57H,24H2,1-8H3.

What are the key properties of 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol?

2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol has a molecular weight of 775.09 g/mol, XLogP of 12.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-carbazol-9-yl-5-[4-(2-methylpropyl)-5-trimethylsilyl-2-pyridinyl]phenyl]-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 140831990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).