2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten

C112H80BClN8O2W — CID 157289410

About 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten

2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten (PubChem CID 157289410) has the molecular formula C112H80BClN8O2W and a molecular weight of 1800.03 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten
• PubChem CID: 157289410
• Molecular Formula: C112H80BClN8O2W
• Molecular Weight: 1800.03 g/mol
• Exact Mass: 1798.57
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten
• SMILES: CC1(C)OB(c2cccc(-c3nc4ccccc4c4cc5c(cc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[W].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1
• InChI: InChI=1S/C53H34N4.C44H36BNO2.C15H10ClN3.W/c1-5-18-35(19-6-1)50-55-51(36-20-7-2-8-21-36)57-52(56-50)38-23-17-22-37(32-38)49-45-34-47-44(33-43(45)42-29-14-16-31-48(42)54-49)41-28-13-15-30-46(41)53(47,39-24-9-3-10-25-39)40-26-11-4-12-27-40;1-42(2)43(3,4)48-45(47-42)32-21-15-16-29(26-32)41-37-28-39-36(27-35(37)34-23-12-14-25-40(34)46-41)33-22-11-13-24-38(33)44(39,30-17-7-5-8-18-30)31-19-9-6-10-20-31;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;/h1-34H;5-28H,1-4H3;1-10H
• InChIKey: KGUDNTJRVMDKJU-UHFFFAOYSA-N
• XLogP: 26.18
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1800.03
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten (CID 157289410) is 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten is CC1(C)OB(c2cccc(-c3nc4ccccc4c4cc5c(cc34)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)c2)OC1(C)C.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.[W].c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)c3)n2)cc1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten?

The InChIKey is KGUDNTJRVMDKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C44H36BNO2.C15H10ClN3.W/c1-5-18-35(19-6-1)50-55-51(36-20-7-2-8-21-36)57-52(56-50)38-23-17-22-37(32-38)49-45-34-47-44(33-43(45)42-29-14-16-31-48(42)54-49)41-28-13-15-30-46(41)53(47,39-24-9-3-10-25-39)40-26-11-4-12-27-40;1-42(2)43(3,4)48-45(47-42)32-21-15-16-29(26-32)41-37-28-39-36(27-35(37)34-23-12-14-25-40(34)46-41)33-22-11-13-24-38(33)44(39,30-17-7-5-8-18-30)31-19-9-6-10-20-31;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;/h1-34H;5-28H,1-4H3;1-10H;.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten?

2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten has a molecular weight of 1800.03 g/mol, XLogP of 26.18, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-diphenyl-1,3,5-triazine;10,10-diphenyl-14-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenyl-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;tungsten is sourced from PubChem (CID 157289410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).