10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole

C70H76B2Br2N2O4 — CID 142373855

About 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole

10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole (PubChem CID 142373855) has the molecular formula C70H76B2Br2N2O4 and a molecular weight of 1190.82 g/mol. Its IUPAC name is 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole.

Molecular Properties

• Compound Name: 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole
• PubChem CID: 142373855
• Molecular Formula: C70H76B2Br2N2O4
• Molecular Weight: 1190.82 g/mol
• Exact Mass: 1188.44
• IUPAC Name: 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole
• SMILES: CCCCCCc1cc(-n2c3ccc(Br)cc3c3c4ccc(CC5(C)OB(c6ccc7c(c6)c6c8ccccc8ccc6n7-c6cc(CCCCCC)c(B7OC(C)(C)C(C)(C)O7)cc6C)OC5(C)C)cc4ccc32)c(C)cc1Br
• InChI: InChI=1S/C70H76B2Br2N2O4/c1-12-14-16-18-23-49-39-63(44(3)36-57(49)72-77-67(5,6)68(7,8)78-72)75-59-34-29-51(41-55(59)65-53-25-21-20-22-47(53)27-32-61(65)75)71-79-69(9,10)70(11,80-71)43-46-26-31-54-48(38-46)28-33-62-66(54)56-42-52(73)30-35-60(56)76(62)64-40-50(24-19-17-15-13-2)58(74)37-45(64)4/h20-22,25-42H,12-19,23-24,43H2,1-11H3
• InChIKey: QEAJTNPPNXPWOX-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 46.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1190.82
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole?

The IUPAC name of 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole (CID 142373855) is 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole.

What is the SMILES notation for 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole?

The canonical SMILES for 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccc(Br)cc3c3c4ccc(CC5(C)OB(c6ccc7c(c6)c6c8ccccc8ccc6n7-c6cc(CCCCCC)c(B7OC(C)(C)C(C)(C)O7)cc6C)OC5(C)C)cc4ccc32)c(C)cc1Br.

What is the InChIKey of 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole?

The InChIKey is QEAJTNPPNXPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H76B2Br2N2O4/c1-12-14-16-18-23-49-39-63(44(3)36-57(49)72-77-67(5,6)68(7,8)78-72)75-59-34-29-51(41-55(59)65-53-25-21-20-22-47(53)27-32-61(65)75)71-79-69(9,10)70(11,80-71)43-46-26-31-54-48(38-46)28-33-62-66(54)56-42-52(73)30-35-60(56)76(62)64-40-50(24-19-17-15-13-2)58(74)37-45(64)4/h20-22,25-42H,12-19,23-24,43H2,1-11H3.

What are the key properties of 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole?

10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole has a molecular weight of 1190.82 g/mol, XLogP of 18.40, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole is sourced from PubChem (CID 142373855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).