(4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane

C68H50BCl3I2N8O2 — CID 160802051

About (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane

(4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane (PubChem CID 160802051) has the molecular formula C68H50BCl3I2N8O2 and a molecular weight of 1382.18 g/mol. Its IUPAC name is (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane.

Molecular Properties

• Compound Name: (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane
• PubChem CID: 160802051
• Molecular Formula: C68H50BCl3I2N8O2
• Molecular Weight: 1382.18 g/mol
• Exact Mass: 1380.13
• IUPAC Name: (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane
• SMILES: CI.CI.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/C33H21ClN4.C27H17ClN4.C6H6BClO2.2CH3I/c34-25-19-17-23(18-20-25)32-35-31(22-9-2-1-3-10-22)36-33(37-32)24-11-8-12-26(21-24)38-29-15-6-4-13-27(29)28-14-5-7-16-30(28)38;28-27-30-25(18-9-2-1-3-10-18)29-26(31-27)19-11-8-12-20(17-19)32-23-15-6-4-13-21(23)22-14-5-7-16-24(22)32;8-6-3-1-5(2-4-6)7(9)10;2*1-2/h1-21H;1-17H;1-4,9-10H;2*1H3
• InChIKey: SDEWUKFVMDYTIZ-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 127.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1382.18
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	2
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 (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane?

The IUPAC name of (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane (CID 160802051) is (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane.

What is the SMILES notation for (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane?

The canonical SMILES for (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane is CI.CI.Clc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.Clc1nc(-c2ccccc2)nc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)n1.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane?

The InChIKey is SDEWUKFVMDYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21ClN4.C27H17ClN4.C6H6BClO2.2CH3I/c34-25-19-17-23(18-20-25)32-35-31(22-9-2-1-3-10-22)36-33(37-32)24-11-8-12-26(21-24)38-29-15-6-4-13-27(29)28-14-5-7-16-30(28)38;28-27-30-25(18-9-2-1-3-10-18)29-26(31-27)19-11-8-12-20(17-19)32-23-15-6-4-13-21(23)22-14-5-7-16-24(22)32;8-6-3-1-5(2-4-6)7(9)10;2*1-2/h1-21H;1-17H;1-4,9-10H;2*1H3.

What are the key properties of (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane?

(4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane has a molecular weight of 1382.18 g/mol, XLogP of 17.70, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)boronic acid;9-[3-[4-(4-chlorophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;iodomethane is sourced from PubChem (CID 160802051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).