[2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane

C51H47N5OSi — CID 169031493

About [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane

[2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane (PubChem CID 169031493) has the molecular formula C51H47N5OSi and a molecular weight of 774.06 g/mol. Its IUPAC name is [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane.

Molecular Properties

• Compound Name: [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane
• PubChem CID: 169031493
• Molecular Formula: C51H47N5OSi
• Molecular Weight: 774.06 g/mol
• Exact Mass: 773.35
• IUPAC Name: [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane
• SMILES: CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c(c4)n(-c4cc([Si](C)(C)C)ccn4)c4c6ccccc6n(-c6ccccc6)c54)c3)c3ccccc32)c1
• InChI: InChI=1S/C51H47N5OSi/c1-51(2,3)35-16-14-19-37(30-35)53-34-54(46-25-13-12-24-45(46)53)38-20-15-21-39(31-38)57-40-26-27-43-47(32-40)56(48-33-41(28-29-52-48)58(4,5)6)50-42-22-10-11-23-44(42)55(49(43)50)36-17-8-7-9-18-36/h7-33H,34H2,1-6H3
• InChIKey: QNCLGKKKTPQTGT-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.06
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane?

The IUPAC name of [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane (CID 169031493) is [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane.

What is the SMILES notation for [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane?

The canonical SMILES for [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane is CC(C)(C)c1cccc(N2CN(c3cccc(Oc4ccc5c(c4)n(-c4cc([Si](C)(C)C)ccn4)c4c6ccccc6n(-c6ccccc6)c54)c3)c3ccccc32)c1.

What is the InChIKey of [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane?

The InChIKey is QNCLGKKKTPQTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H47N5OSi/c1-51(2,3)35-16-14-19-37(30-35)53-34-54(46-25-13-12-24-45(46)53)38-20-15-21-39(31-38)57-40-26-27-43-47(32-40)56(48-33-41(28-29-52-48)58(4,5)6)50-42-22-10-11-23-44(42)55(49(43)50)36-17-8-7-9-18-36/h7-33H,34H2,1-6H3.

What are the key properties of [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane?

[2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane has a molecular weight of 774.06 g/mol, XLogP of 13.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-5-phenylindolo[3,2-b]indol-10-yl]-4-pyridinyl]-trimethylsilane is sourced from PubChem (CID 169031493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).