2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane

C74H60BCl3I2N8O2 — CID 160784748

About 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane

2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane (PubChem CID 160784748) has the molecular formula C74H60BCl3I2N8O2 and a molecular weight of 1464.33 g/mol. Its IUPAC name is 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane.

Molecular Properties

• Compound Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane
• PubChem CID: 160784748
• Molecular Formula: C74H60BCl3I2N8O2
• Molecular Weight: 1464.33 g/mol
• Exact Mass: 1462.21
• IUPAC Name: 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane
• SMILES: CC1(C)OB(c2ccc(Cl)c(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.CI.CI.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C33H21ClN4.C24H23BClNO2.C15H10ClN3.2CH3I/c34-27-20-19-24(21-30(27)38-28-17-9-7-15-25(28)26-16-8-10-18-29(26)38)33-36-31(22-11-3-1-4-12-22)35-32(37-33)23-13-5-2-6-14-23;1-23(2)24(3,4)29-25(28-23)16-13-14-19(26)22(15-16)27-20-11-7-5-9-17(20)18-10-6-8-12-21(18)27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;2*1-2/h1-21H;5-15H,1-4H3;1-10H;2*1H3
• InChIKey: SBBFIFQQARKXGI-UHFFFAOYSA-N
• XLogP: 20.32
• TPSA: 105.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1464.33
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane?

The IUPAC name of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane (CID 160784748) is 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane.

What is the SMILES notation for 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane?

The canonical SMILES for 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane is CC1(C)OB(c2ccc(Cl)c(-n3c4ccccc4c4ccccc43)c2)OC1(C)C.CI.CI.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane?

The InChIKey is SBBFIFQQARKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClN4.C24H23BClNO2.C15H10ClN3.2CH3I/c34-27-20-19-24(21-30(27)38-28-17-9-7-15-25(28)26-16-8-10-18-29(26)38)33-36-31(22-11-3-1-4-12-22)35-32(37-33)23-13-5-2-6-14-23;1-23(2)24(3,4)29-25(28-23)16-13-14-19(26)22(15-16)27-20-11-7-5-9-17(20)18-10-6-8-12-21(18)27;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;2*1-2/h1-21H;5-15H,1-4H3;1-10H;2*1H3.

What are the key properties of 2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane?

2-chloro-4,6-diphenyl-1,3,5-triazine;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane has a molecular weight of 1464.33 g/mol, XLogP of 20.32, 8 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;9-[2-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;iodomethane is sourced from PubChem (CID 160784748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).