5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C163H116BBr2Cl2F4N7O2 — CID 157202975

About 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 157202975) has the molecular formula C163H116BBr2Cl2F4N7O2 and a molecular weight of 2522.29 g/mol. Its IUPAC name is 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 157202975
• Molecular Formula: C163H116BBr2Cl2F4N7O2
• Molecular Weight: 2522.29 g/mol
• Exact Mass: 2517.70
• IUPAC Name: 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cc(-c3ccccc3)c(F)c(-c3ccccc3)c2)OC1(C)C.Fc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1.Fc1c(-c2ccccc2)cc(Cl)cc1-c1ccccc1.Fc1c(Br)cc(Cl)cc1Br.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)cc1
• InChI: InChI=1S/C57H38N4.C33H22FN3.C25H18.C24H24BFO2.C18H12ClF.C6H2Br2ClF/c1-7-19-39(20-8-1)45-31-33-52-50(35-45)51-36-46(40-21-9-2-10-22-40)32-34-53(51)61(52)54-48(41-23-11-3-12-24-41)37-47(38-49(54)42-25-13-4-14-26-42)57-59-55(43-27-15-5-16-28-43)58-56(60-57)44-29-17-6-18-30-44;34-30-28(23-13-5-1-6-14-23)21-27(22-29(30)24-15-7-2-8-16-24)33-36-31(25-17-9-3-10-18-25)35-32(37-33)26-19-11-4-12-20-26;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-23(2)24(3,4)28-25(27-23)19-15-20(17-11-7-5-8-12-17)22(26)21(16-19)18-13-9-6-10-14-18;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;7-4-1-3(9)2-5(8)6(4)10/h1-38H;1-22H;1-14,16-17H,15H2;5-16H,1-4H3;1-12H;1-2H
• InChIKey: ARACGWXNKVRZIN-UHFFFAOYSA-N
• XLogP: 44.85
• TPSA: 100.73 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2522.29
LogP ≤ 5	44.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 157202975) is 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(-c3ccccc3)c(F)c(-c3ccccc3)c2)OC1(C)C.Fc1c(-c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1.Fc1c(-c2ccccc2)cc(Cl)cc1-c1ccccc1.Fc1c(Br)cc(Cl)cc1Br.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2c(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2)cc1.

What is the InChIKey of 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is ARACGWXNKVRZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4.C33H22FN3.C25H18.C24H24BFO2.C18H12ClF.C6H2Br2ClF/c1-7-19-39(20-8-1)45-31-33-52-50(35-45)51-36-46(40-21-9-2-10-22-40)32-34-53(51)61(52)54-48(41-23-11-3-12-24-41)37-47(38-49(54)42-25-13-4-14-26-42)57-59-55(43-27-15-5-16-28-43)58-56(60-57)44-29-17-6-18-30-44;34-30-28(23-13-5-1-6-14-23)21-27(22-29(30)24-15-7-2-8-16-24)33-36-31(25-17-9-3-10-18-25)35-32(37-33)26-19-11-4-12-20-26;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-23(2)24(3,4)28-25(27-23)19-15-20(17-11-7-5-8-12-17)22(26)21(16-19)18-13-9-6-10-14-18;19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;7-4-1-3(9)2-5(8)6(4)10/h1-38H;1-22H;1-14,16-17H,15H2;5-16H,1-4H3;1-12H;1-2H.

What are the key properties of 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 2522.29 g/mol, XLogP of 44.85, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-fluoro-1,3-diphenylbenzene;1,3-dibromo-5-chloro-2-fluorobenzene;3,6-diphenyl-9H-fluorene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;2-(4-fluoro-3,5-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-fluoro-3,5-diphenylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 157202975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).