9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile

C163H104N15OPSi3 — CID 158402917

About 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile

9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile (PubChem CID 158402917) has the molecular formula C163H104N15OPSi3 and a molecular weight of 2403.96 g/mol. Its IUPAC name is 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile
• PubChem CID: 158402917
• Molecular Formula: C163H104N15OPSi3
• Molecular Weight: 2403.96 g/mol
• Exact Mass: 2401.76
• IUPAC Name: 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile
• SMILES: C[Si]1(C)c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1[Si]2(C)C.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1P2(=O)c1ccccc1
• InChI: InChI=1S/C43H26N3OP.C41H25N5Si.C40H26N4Si.C39H27N3Si/c1-44-28-19-22-41-35(25-28)34-15-7-10-18-40(34)46(41)30-21-24-43-37(27-30)36-26-29(20-23-42(36)48(43,47)31-11-3-2-4-12-31)45-38-16-8-5-13-32(38)33-14-6-9-17-39(33)45;1-44-27-10-15-39-33(20-27)32-19-26(24-43)9-14-38(32)46(39)29-12-17-41-35(22-29)34-21-28(11-16-40(34)47(41,2)3)45-36-7-5-4-6-30(36)31-18-25(23-42)8-13-37(31)45;1-45(2)39-17-13-27(43-35-9-5-3-7-29(35)31-19-25(23-41)11-15-37(31)43)21-33(39)34-22-28(14-18-40(34)45)44-36-10-6-4-8-30(36)32-20-26(24-42)12-16-38(32)44;1-43(2)38-19-16-26(41-34-12-6-3-9-28(34)29-10-4-7-13-35(29)41)22-32(38)33-23-27(17-20-39(33)43)42-36-14-8-5-11-30(36)31-21-25(24-40)15-18-37(31)42/h2-27H;4-22H,2-3H3;3-22H,1-2H3;3-23H,1-2H3
• InChIKey: GYIAVKYJYQWRRF-UHFFFAOYSA-N
• XLogP: 36.01
• TPSA: 184.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.96
LogP ≤ 5	36.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile?

The IUPAC name of 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile (CID 158402917) is 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile.

What is the SMILES notation for 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile?

The canonical SMILES for 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile is C[Si]1(C)c2ccc(-n3c4ccccc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1[Si]2(C)C.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1P2(=O)c1ccccc1.

What is the InChIKey of 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile?

The InChIKey is GYIAVKYJYQWRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N3OP.C41H25N5Si.C40H26N4Si.C39H27N3Si/c1-44-28-19-22-41-35(25-28)34-15-7-10-18-40(34)46(41)30-21-24-43-37(27-30)36-26-29(20-23-42(36)48(43,47)31-11-3-2-4-12-31)45-38-16-8-5-13-32(38)33-14-6-9-17-39(33)45;1-44-27-10-15-39-33(20-27)32-19-26(24-43)9-14-38(32)46(39)29-12-17-41-35(22-29)34-21-28(11-16-40(34)47(41,2)3)45-36-7-5-4-6-30(36)31-18-25(23-42)8-13-37(31)45;1-45(2)39-17-13-27(43-35-9-5-3-7-29(35)31-19-25(23-41)11-15-37(31)43)21-33(39)34-22-28(14-18-40(34)45)44-36-10-6-4-8-30(36)32-20-26(24-42)12-16-38(32)44;1-43(2)38-19-16-26(41-34-12-6-3-9-28(34)29-10-4-7-13-35(29)41)22-32(38)33-23-27(17-20-39(33)43)42-36-14-8-5-11-30(36)31-21-25(24-40)15-18-37(31)42/h2-27H;4-22H,2-3H3;3-22H,1-2H3;3-23H,1-2H3.

What are the key properties of 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile?

9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile has a molecular weight of 2403.96 g/mol, XLogP of 36.01, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-carbazol-9-yl-5,5-dimethylbenzo[b][1]benzosilol-8-yl)carbazole-3-carbonitrile;2-carbazol-9-yl-8-(3-isocyanocarbazol-9-yl)-5-phenylbenzo[b]phosphindole 5-oxide;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3-carbonitrile;9-[2-(3-cyanocarbazol-9-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile is sourced from PubChem (CID 158402917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).