[11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane

C101H73BN6Si2 — CID 168783698

About [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane

[11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane (PubChem CID 168783698) has the molecular formula C101H73BN6Si2 and a molecular weight of 1437.72 g/mol. Its IUPAC name is [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane
• PubChem CID: 168783698
• Molecular Formula: C101H73BN6Si2
• Molecular Weight: 1437.72 g/mol
• Exact Mass: 1436.55
• IUPAC Name: [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)N(c1nc(-c4ccccc4)nc(-c4ccccc4)n1)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1cc(-c2ccccc2)cc(-c2ccccc2)c1
• InChI: InChI=1S/C101H73BN6Si2/c1-70-53-57-92-88(61-70)89-62-71(2)54-58-93(89)106(92)79-66-96-98-97(67-79)108(101-104-99(74-37-17-5-18-38-74)103-100(105-101)75-39-19-6-20-40-75)95-60-56-87(110(83-47-27-10-28-48-83,84-49-29-11-30-50-84)85-51-31-12-32-52-85)69-91(95)102(98)90-68-86(109(80-41-21-7-22-42-80,81-43-23-8-24-44-81)82-45-25-9-26-46-82)55-59-94(90)107(96)78-64-76(72-33-13-3-14-34-72)63-77(65-78)73-35-15-4-16-36-73/h3-69H,1-2H3
• InChIKey: OVBUWMGQGQGWNK-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 50.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1437.72
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The IUPAC name of [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane (CID 168783698) is [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane.

What is the SMILES notation for [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The canonical SMILES for [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc2c3c(c1)N(c1nc(-c4ccccc4)nc(-c4ccccc4)n1)c1ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc1B3c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1cc(-c2ccccc2)cc(-c2ccccc2)c1.

What is the InChIKey of [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

The InChIKey is OVBUWMGQGQGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H73BN6Si2/c1-70-53-57-92-88(61-70)89-62-71(2)54-58-93(89)106(92)79-66-96-98-97(67-79)108(101-104-99(74-37-17-5-18-38-74)103-100(105-101)75-39-19-6-20-40-75)95-60-56-87(110(83-47-27-10-28-48-83,84-49-29-11-30-50-84)85-51-31-12-32-52-85)69-91(95)102(98)90-68-86(109(80-41-21-7-22-42-80,81-43-23-8-24-44-81)82-45-25-9-26-46-82)55-59-94(90)107(96)78-64-76(72-33-13-3-14-34-72)63-77(65-78)73-35-15-4-16-36-73/h3-69H,1-2H3.

What are the key properties of [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane?

[11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane has a molecular weight of 1437.72 g/mol, XLogP of 17.09, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [11-(3,6-dimethylcarbazol-9-yl)-8-(3,5-diphenylphenyl)-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-triphenylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]-triphenylsilane is sourced from PubChem (CID 168783698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).