(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane

C55H42N4Si — CID 140952474

About (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane

(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane (PubChem CID 140952474) has the molecular formula C55H42N4Si and a molecular weight of 787.06 g/mol. Its IUPAC name is (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane.

Molecular Properties

• Compound Name: (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
• PubChem CID: 140952474
• Molecular Formula: C55H42N4Si
• Molecular Weight: 787.06 g/mol
• Exact Mass: 786.32
• IUPAC Name: (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane
• SMILES: CC1(C)c2ccccc2N(c2ccccc2)c2c([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccn4)c3)cc3c(c21)c1ccccc1n3-c1ccccn1
• InChI: InChI=1S/C55H42N4Si/c1-55(2)45-30-13-15-33-48(45)58(40-22-6-3-7-23-40)54-50(38-49-52(53(54)55)44-29-12-14-32-47(44)59(49)51-34-17-19-36-57-51)60(41-24-8-4-9-25-41,42-26-10-5-11-27-42)43-28-20-21-39(37-43)46-31-16-18-35-56-46/h3-38H,1-2H3
• InChIKey: ACOLYOFZKTVHCB-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.06
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane?

The IUPAC name of (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane (CID 140952474) is (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane.

What is the SMILES notation for (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane?

The canonical SMILES for (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane is CC1(C)c2ccccc2N(c2ccccc2)c2c([Si](c3ccccc3)(c3ccccc3)c3cccc(-c4ccccn4)c3)cc3c(c21)c1ccccc1n3-c1ccccn1.

What is the InChIKey of (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane?

The InChIKey is ACOLYOFZKTVHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4Si/c1-55(2)45-30-13-15-33-48(45)58(40-22-6-3-7-23-40)54-50(38-49-52(53(54)55)44-29-12-14-32-47(44)59(49)51-34-17-19-36-57-51)60(41-24-8-4-9-25-41,42-26-10-5-11-27-42)43-28-20-21-39(37-43)46-31-16-18-35-56-46/h3-38H,1-2H3.

What are the key properties of (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane?

(13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane has a molecular weight of 787.06 g/mol, XLogP of 10.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (13,13-dimethyl-5-phenyl-8-pyridin-2-ylindolo[3,2-a]acridin-6-yl)-diphenyl-(3-pyridin-2-ylphenyl)silane is sourced from PubChem (CID 140952474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).