bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole

C115H76BrN9 — CID 159568923

About bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole

bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole (PubChem CID 159568923) has the molecular formula C115H76BrN9 and a molecular weight of 1663.84 g/mol. Its IUPAC name is bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole.

Molecular Properties

• Compound Name: bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole
• PubChem CID: 159568923
• Molecular Formula: C115H76BrN9
• Molecular Weight: 1663.84 g/mol
• Exact Mass: 1661.54
• IUPAC Name: bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole
• SMILES: Brc1ccccc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc5c4Cc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4-5)cc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6n(-c6ccccc6)c45)cc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C57H37N5.C52H34N4.C6H5Br/c1-6-18-38(19-7-1)41-33-35-51-50(36-41)46-34-32-42(37-52(46)61(51)43-24-12-4-13-25-43)45-28-16-29-47-48-30-17-31-49(54(48)62(53(45)47)44-26-14-5-15-27-44)57-59-55(39-20-8-2-9-21-39)58-56(60-57)40-22-10-3-11-23-40;1-5-15-34(16-6-1)37-28-30-48-47(31-37)43-29-27-38(32-49(43)56(48)39-21-11-4-12-22-39)40-23-13-24-41-42-25-14-26-44(46(42)33-45(40)41)52-54-50(35-17-7-2-8-18-35)53-51(55-52)36-19-9-3-10-20-36;7-6-4-2-1-3-5-6/h1-37H;1-32H,33H2;1-5H
• InChIKey: MHOIAAYDYMKLDH-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1663.84
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole?

The IUPAC name of bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole (CID 159568923) is bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole.

What is the SMILES notation for bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole?

The canonical SMILES for bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole is Brc1ccccc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc5c4Cc4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4-5)cc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccc(-c4cccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6n(-c6ccccc6)c45)cc2n3-c2ccccc2)cc1.

What is the InChIKey of bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole?

The InChIKey is MHOIAAYDYMKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5.C52H34N4.C6H5Br/c1-6-18-38(19-7-1)41-33-35-51-50(36-41)46-34-32-42(37-52(46)61(51)43-24-12-4-13-25-43)45-28-16-29-47-48-30-17-31-49(54(48)62(53(45)47)44-26-14-5-15-27-44)57-59-55(39-20-8-2-9-21-39)58-56(60-57)40-22-10-3-11-23-40;1-5-15-34(16-6-1)37-28-30-48-47(31-37)43-29-27-38(32-49(43)56(48)39-21-11-4-12-22-39)40-23-13-24-41-42-25-14-26-44(46(42)33-45(40)41)52-54-50(35-17-7-2-8-18-35)53-51(55-52)36-19-9-3-10-20-36;7-6-4-2-1-3-5-6/h1-37H;1-32H,33H2;1-5H.

What are the key properties of bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole?

bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole has a molecular weight of 1663.84 g/mol, XLogP of 29.72, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bromobenzene;1-(6,9-diphenylcarbazol-2-yl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-1-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 159568923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).