9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole

C114H73ClN12S2Si2 — CID 165110418

About 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole

9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole (PubChem CID 165110418) has the molecular formula C114H73ClN12S2Si2 and a molecular weight of 1766.68 g/mol. Its IUPAC name is 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole.

Molecular Properties

• Compound Name: 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole
• PubChem CID: 165110418
• Molecular Formula: C114H73ClN12S2Si2
• Molecular Weight: 1766.68 g/mol
• Exact Mass: 1764.47
• IUPAC Name: 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole
• SMILES: Clc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc([Si]2(c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3Sc3ccccc32)cc1.c1ccc([Si]2(c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4c3)c3ccccc3Sc3ccccc32)cc1
• InChI: InChI=1S/C57H36N6SSi.C30H21NSSi.C27H16ClN5/c1-2-18-37(19-3-1)65(53-32-16-14-30-51(53)64-52-31-15-17-33-54(52)65)38-34-35-44-43-24-8-13-29-49(43)63(50(44)36-38)57-59-55(61-45-25-9-4-20-39(45)40-21-5-10-26-46(40)61)58-56(60-57)62-47-27-11-6-22-41(47)42-23-7-12-28-48(42)62;1-2-10-21(11-3-1)33(22-18-19-24-23-12-4-5-13-25(23)31-26(24)20-22)29-16-8-6-14-27(29)32-28-15-7-9-17-30(28)33;28-25-29-26(32-21-13-5-1-9-17(21)18-10-2-6-14-22(18)32)31-27(30-25)33-23-15-7-3-11-19(23)20-12-4-8-16-24(20)33/h1-36H;1-20,31H;1-16H
• InChIKey: ZVWMHZJKDGHUOT-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 117.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.68
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole?

The IUPAC name of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole (CID 165110418) is 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole.

What is the SMILES notation for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole?

The canonical SMILES for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole is Clc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc([Si]2(c3ccc4c(c3)[nH]c3ccccc34)c3ccccc3Sc3ccccc32)cc1.c1ccc([Si]2(c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c4c3)c3ccccc3Sc3ccccc32)cc1.

What is the InChIKey of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole?

The InChIKey is ZVWMHZJKDGHUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6SSi.C30H21NSSi.C27H16ClN5/c1-2-18-37(19-3-1)65(53-32-16-14-30-51(53)64-52-31-15-17-33-54(52)65)38-34-35-44-43-24-8-13-29-49(43)63(50(44)36-38)57-59-55(61-45-25-9-4-20-39(45)40-21-5-10-26-46(40)61)58-56(60-57)62-47-27-11-6-22-41(47)42-23-7-12-28-48(42)62;1-2-10-21(11-3-1)33(22-18-19-24-23-12-4-5-13-25(23)31-26(24)20-22)29-16-8-6-14-27(29)32-28-15-7-9-17-30(28)33;28-25-29-26(32-21-13-5-1-9-17(21)18-10-2-6-14-22(18)32)31-27(30-25)33-23-15-7-3-11-19(23)20-12-4-8-16-24(20)33/h1-36H;1-20,31H;1-16H.

What are the key properties of 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole?

9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole has a molecular weight of 1766.68 g/mol, XLogP of 22.89, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)carbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)carbazole;2-(10-phenylbenzo[b][1,4]benzothiasilin-10-yl)-9H-carbazole is sourced from PubChem (CID 165110418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).