2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole

C95H72N3PSi2 — CID 157216212

About 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole

2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole (PubChem CID 157216212) has the molecular formula C95H72N3PSi2 and a molecular weight of 1342.79 g/mol. Its IUPAC name is 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole.

Molecular Properties

• Compound Name: 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole
• PubChem CID: 157216212
• Molecular Formula: C95H72N3PSi2
• Molecular Weight: 1342.79 g/mol
• Exact Mass: 1341.50
• IUPAC Name: 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole
• SMILES: Cn1c2ccccc2c2ccc(-c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cc21.Cn1c2ccccc2c2ccc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.Cn1c2ccccc2c2ccc(-c3ccc4c5ccccc5p(-c5ccccc5)c4c3)cc21
• InChI: InChI=1S/C37H27NSi.C31H22NP.C27H23NSi/c1-38-34-18-10-8-16-30(34)31-22-20-26(24-35(31)38)27-21-23-33-32-17-9-11-19-36(32)39(37(33)25-27,28-12-4-2-5-13-28)29-14-6-3-7-15-29;1-32-28-13-7-5-11-24(28)25-17-15-21(19-29(25)32)22-16-18-27-26-12-6-8-14-30(26)33(31(27)20-22)23-9-3-2-4-10-23;1-28-24-10-6-4-8-20(24)21-14-12-18(16-25(21)28)19-13-15-23-22-9-5-7-11-26(22)29(2,3)27(23)17-19/h2-25H,1H3;2-20H,1H3;4-17H,1-3H3
• InChIKey: ASLFRDRTMARKTL-UHFFFAOYSA-N
• XLogP: 21.44
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1342.79
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole?

The IUPAC name of 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole (CID 157216212) is 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole.

What is the SMILES notation for 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole?

The canonical SMILES for 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole is Cn1c2ccccc2c2ccc(-c3ccc4c(c3)[Si](C)(C)c3ccccc3-4)cc21.Cn1c2ccccc2c2ccc(-c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccccc3-4)cc21.Cn1c2ccccc2c2ccc(-c3ccc4c5ccccc5p(-c5ccccc5)c4c3)cc21.

What is the InChIKey of 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole?

The InChIKey is ASLFRDRTMARKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NSi.C31H22NP.C27H23NSi/c1-38-34-18-10-8-16-30(34)31-22-20-26(24-35(31)38)27-21-23-33-32-17-9-11-19-36(32)39(37(33)25-27,28-12-4-2-5-13-28)29-14-6-3-7-15-29;1-32-28-13-7-5-11-24(28)25-17-15-21(19-29(25)32)22-16-18-27-26-12-6-8-14-30(26)33(31(27)20-22)23-9-3-2-4-10-23;1-28-24-10-6-4-8-20(24)21-14-12-18(16-25(21)28)19-13-15-23-22-9-5-7-11-26(22)29(2,3)27(23)17-19/h2-25H,1H3;2-20H,1H3;4-17H,1-3H3.

What are the key properties of 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole?

2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole has a molecular weight of 1342.79 g/mol, XLogP of 21.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;2-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-9-methylcarbazole;9-methyl-2-(5-phenylbenzo[b]phosphindol-3-yl)carbazole is sourced from PubChem (CID 157216212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).