[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane

C67H49N5Si2 — CID 140951902

About [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane

[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane (PubChem CID 140951902) has the molecular formula C67H49N5Si2 and a molecular weight of 980.34 g/mol. Its IUPAC name is [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane.

Molecular Properties

• Compound Name: [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane
• PubChem CID: 140951902
• Molecular Formula: C67H49N5Si2
• Molecular Weight: 980.34 g/mol
• Exact Mass: 979.35
• IUPAC Name: [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane
• SMILES: Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)N(c3ccccn3)c3ccc5c6ccccc6n(-c6ccccc6)c5c3[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21
• InChI: InChI=1S/C67H49N5Si2/c1-70-60-39-20-18-37-58(60)69-67(70)48-24-23-35-54(46-48)73(50-27-9-3-10-28-50,51-29-11-4-12-30-51)55-41-44-63-62(47-55)72(64-40-21-22-45-68-64)61-43-42-57-56-36-17-19-38-59(56)71(49-25-7-2-8-26-49)65(57)66(61)74(63,52-31-13-5-14-32-52)53-33-15-6-16-34-53/h2-47H,1H3
• InChIKey: GHBMRZVBNXJGTD-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	980.34
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane?

The IUPAC name of [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane (CID 140951902) is [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane.

What is the SMILES notation for [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane?

The canonical SMILES for [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane is Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)N(c3ccccn3)c3ccc5c6ccccc6n(-c6ccccc6)c5c3[Si]4(c3ccccc3)c3ccccc3)c2)nc2ccccc21.

What is the InChIKey of [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane?

The InChIKey is GHBMRZVBNXJGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5Si2/c1-70-60-39-20-18-37-58(60)69-67(70)48-24-23-35-54(46-48)73(50-27-9-3-10-28-50,51-29-11-4-12-30-51)55-41-44-63-62(47-55)72(64-40-21-22-45-68-64)61-43-42-57-56-36-17-19-38-59(56)71(49-25-7-2-8-26-49)65(57)66(61)74(63,52-31-13-5-14-32-52)53-33-15-6-16-34-53/h2-47H,1H3.

What are the key properties of [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane?

[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane has a molecular weight of 980.34 g/mol, XLogP of 10.27, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12,13,13-triphenyl-5-pyridin-2-yl-[1,4]benzazasilino[3,2-a]carbazol-3-yl)silane is sourced from PubChem (CID 140951902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).