(13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

C52H40N4OSi — CID 140952280

About (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane

(13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (PubChem CID 140952280) has the molecular formula C52H40N4OSi and a molecular weight of 765.01 g/mol. Its IUPAC name is (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

Molecular Properties

• Compound Name: (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• PubChem CID: 140952280
• Molecular Formula: C52H40N4OSi
• Molecular Weight: 765.01 g/mol
• Exact Mass: 764.30
• IUPAC Name: (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane
• SMILES: Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccc6c(c5n(-c5ccccn5)c4c3)C(C)(C)c3ccccc3O6)c2)nc2ccccc21
• InChI: InChI=1S/C52H40N4OSi/c1-52(2)42-23-10-13-26-46(42)57-47-31-30-41-40-29-28-39(34-45(40)56(50(41)49(47)52)48-27-14-15-32-53-48)58(36-18-6-4-7-19-36,37-20-8-5-9-21-37)38-22-16-17-35(33-38)51-54-43-24-11-12-25-44(43)55(51)3/h4-34H,1-3H3
• InChIKey: MBKZAVCWOHJMET-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.01
LogP ≤ 5	9.54
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 (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The IUPAC name of (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane (CID 140952280) is (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane.

What is the SMILES notation for (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The canonical SMILES for (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is Cn1c(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccc6c(c5n(-c5ccccn5)c4c3)C(C)(C)c3ccccc3O6)c2)nc2ccccc21.

What is the InChIKey of (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

The InChIKey is MBKZAVCWOHJMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N4OSi/c1-52(2)42-23-10-13-26-46(42)57-47-31-30-41-40-29-28-39(34-45(40)56(50(41)49(47)52)48-27-14-15-32-53-48)58(36-18-6-4-7-19-36,37-20-8-5-9-21-37)38-22-16-17-35(33-38)51-54-43-24-11-12-25-44(43)55(51)3/h4-34H,1-3H3.

What are the key properties of (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane?

(13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane has a molecular weight of 765.01 g/mol, XLogP of 9.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (13,13-dimethyl-12-pyridin-2-ylchromeno[3,2-a]carbazol-10-yl)-[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenylsilane is sourced from PubChem (CID 140952280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).