9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

C140H146BBrCl2N12O2 — CID 160870532

About 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole

9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (PubChem CID 160870532) has the molecular formula C140H146BBrCl2N12O2 and a molecular weight of 2190.41 g/mol. Its IUPAC name is 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

Molecular Properties

• Compound Name: 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
• PubChem CID: 160870532
• Molecular Formula: C140H146BBrCl2N12O2
• Molecular Weight: 2190.41 g/mol
• Exact Mass: 2187.03
• IUPAC Name: 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole
• SMILES: CCl.CCl.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1B1OC(C)(C)C(C)(C)O1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1Br
• InChI: InChI=1S/C66H64N6.C47H49BN4O2.C25H27BrN2.2CH3Cl/c1-33-37(5)45(13)60-56(41(33)9)57-42(10)34(2)38(6)46(14)61(57)71(60)54-28-27-51(66-69-64(49-23-19-17-20-24-49)68-65(70-66)50-25-21-18-22-26-50)31-52(54)53-32-67-30-29-55(53)72-62-47(15)39(7)35(3)43(11)58(62)59-44(12)36(4)40(8)48(16)63(59)72;1-26-28(3)32(7)41-39(30(26)5)40-31(6)27(2)29(4)33(8)42(40)52(41)38-24-23-36(25-37(38)48-53-46(9,10)47(11,12)54-48)45-50-43(34-19-15-13-16-20-34)49-44(51-45)35-21-17-14-18-22-35;1-12-14(3)18(7)24-22(16(12)5)23-17(6)13(2)15(4)19(8)25(23)28(24)21-9-10-27-11-20(21)26;2*1-2/h17-32H,1-16H3;13-25H,1-12H3;9-11H,1-8H3;2*1H3
• InChIKey: SLRRKEYYHMBDJT-UHFFFAOYSA-N
• XLogP: 36.92
• TPSA: 141.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2190.41
LogP ≤ 5	36.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?

The IUPAC name of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole (CID 160870532) is 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole.

What is the SMILES notation for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?

The canonical SMILES for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is CCl.CCl.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1B1OC(C)(C)C(C)(C)O1.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2c(C)c(C)c(C)c(C)c2c2c(C)c(C)c(C)c(C)c21.Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2-c1ccncc1Br.

What is the InChIKey of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?

The InChIKey is SLRRKEYYHMBDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H64N6.C47H49BN4O2.C25H27BrN2.2CH3Cl/c1-33-37(5)45(13)60-56(41(33)9)57-42(10)34(2)38(6)46(14)61(57)71(60)54-28-27-51(66-69-64(49-23-19-17-20-24-49)68-65(70-66)50-25-21-18-22-26-50)31-52(54)53-32-67-30-29-55(53)72-62-47(15)39(7)35(3)43(11)58(62)59-44(12)36(4)40(8)48(16)63(59)72;1-26-28(3)32(7)41-39(30(26)5)40-31(6)27(2)29(4)33(8)42(40)52(41)38-24-23-36(25-37(38)48-53-46(9,10)47(11,12)54-48)45-50-43(34-19-15-13-16-20-34)49-44(51-45)35-21-17-14-18-22-35;1-12-14(3)18(7)24-22(16(12)5)23-17(6)13(2)15(4)19(8)25(23)28(24)21-9-10-27-11-20(21)26;2*1-2/h17-32H,1-16H3;13-25H,1-12H3;9-11H,1-8H3;2*1H3.

What are the key properties of 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole?

9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole has a molecular weight of 2190.41 g/mol, XLogP of 36.92, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-bromo-4-pyridinyl)-1,2,3,4,5,6,7,8-octamethylcarbazole;chloromethane;9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(1,2,3,4,5,6,7,8-octamethylcarbazol-9-yl)phenyl]-4-pyridinyl]-1,2,3,4,5,6,7,8-octamethylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2,3,4,5,6,7,8-octamethylcarbazole is sourced from PubChem (CID 160870532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).