3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane

C97H66N8Si — CID 158762981

About 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane

3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane (PubChem CID 158762981) has the molecular formula C97H66N8Si and a molecular weight of 1371.74 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
• PubChem CID: 158762981
• Molecular Formula: C97H66N8Si
• Molecular Weight: 1371.74 g/mol
• Exact Mass: 1370.52
• IUPAC Name: 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C51H33N5.C46H33N3Si/c1-3-15-34(16-4-1)49-52-50(35-17-5-2-6-18-35)54-51(53-49)38-20-14-22-40(32-38)56-47-28-12-9-25-43(47)44-33-37(29-30-48(44)56)36-19-13-21-39(31-36)55-45-26-10-7-23-41(45)42-24-8-11-27-46(42)55;1-5-16-34(17-6-1)35-28-29-42-41-26-13-14-27-44(41)49(45(42)33-35)46-47-31-30-43(48-46)36-18-15-25-40(32-36)50(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-33H;1-33H
• InChIKey: IOXCFBJZCADHJI-UHFFFAOYSA-N
• XLogP: 21.02
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1371.74
LogP ≤ 5	21.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The IUPAC name of 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane (CID 158762981) is 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane is c1ccc(-c2ccc3c4ccccc4n(-c4nccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)ccc54)c3)n2)cc1.

What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

The InChIKey is IOXCFBJZCADHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5.C46H33N3Si/c1-3-15-34(16-4-1)49-52-50(35-17-5-2-6-18-35)54-51(53-49)38-20-14-22-40(32-38)56-47-28-12-9-25-43(47)44-33-37(29-30-48(44)56)36-19-13-21-39(31-36)55-45-26-10-7-23-41(45)42-24-8-11-27-46(42)55;1-5-16-34(17-6-1)35-28-29-42-41-26-13-14-27-44(41)49(45(42)33-35)46-47-31-30-43(48-46)36-18-15-25-40(32-36)50(37-19-7-2-8-20-37,38-21-9-3-10-22-38)39-23-11-4-12-24-39/h1-33H;1-33H.

What are the key properties of 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane?

3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane has a molecular weight of 1371.74 g/mol, XLogP of 21.02, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-carbazol-9-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;triphenyl-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 158762981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).