8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline

C90H80BBrN8O2 — CID 158477572

About 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline

8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline (PubChem CID 158477572) has the molecular formula C90H80BBrN8O2 and a molecular weight of 1396.40 g/mol. Its IUPAC name is 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline.

Molecular Properties

• Compound Name: 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline
• PubChem CID: 158477572
• Molecular Formula: C90H80BBrN8O2
• Molecular Weight: 1396.40 g/mol
• Exact Mass: 1394.57
• IUPAC Name: 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline
• SMILES: Brc1cccc2cccnc12.CC1(C)OB(c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)CCCCC3)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)n2)cc1
• InChI: InChI=1S/C42H34N4.C39H40BN3O2.C9H6BrN/c1-4-12-32(13-5-1)39-44-40(33-14-6-2-7-15-33)46-41(45-39)34-21-25-36(26-22-34)42(27-8-3-9-28-42)35-23-19-30(20-24-35)37-18-10-16-31-17-11-29-43-38(31)37;1-37(2)38(3,4)45-40(44-37)33-24-22-32(23-25-33)39(26-12-7-13-27-39)31-20-18-30(19-21-31)36-42-34(28-14-8-5-9-15-28)41-35(43-36)29-16-10-6-11-17-29;10-8-5-1-3-7-4-2-6-11-9(7)8/h1-2,4-7,10-26,29H,3,8-9,27-28H2;5-6,8-11,14-25H,7,12-13,26-27H2,1-4H3;1-6H
• InChIKey: HHCVLRGRFQHJSV-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1396.40
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline?

The IUPAC name of 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline (CID 158477572) is 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline.

What is the SMILES notation for 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline?

The canonical SMILES for 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline is Brc1cccc2cccnc12.CC1(C)OB(c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)CCCCC3)cc2)OC1(C)C.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)n2)cc1.

What is the InChIKey of 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline?

The InChIKey is HHCVLRGRFQHJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N4.C39H40BN3O2.C9H6BrN/c1-4-12-32(13-5-1)39-44-40(33-14-6-2-7-15-33)46-41(45-39)34-21-25-36(26-22-34)42(27-8-3-9-28-42)35-23-19-30(20-24-35)37-18-10-16-31-17-11-29-43-38(31)37;1-37(2)38(3,4)45-40(44-37)33-24-22-32(23-25-33)39(26-12-7-13-27-39)31-20-18-30(19-21-31)36-42-34(28-14-8-5-9-15-28)41-35(43-36)29-16-10-6-11-17-29;10-8-5-1-3-7-4-2-6-11-9(7)8/h1-2,4-7,10-26,29H,3,8-9,27-28H2;5-6,8-11,14-25H,7,12-13,26-27H2,1-4H3;1-6H.

What are the key properties of 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline?

8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline has a molecular weight of 1396.40 g/mol, XLogP of 21.76, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromoquinoline;2,4-diphenyl-6-[4-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine;8-[4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]cyclohexyl]phenyl]quinoline is sourced from PubChem (CID 158477572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).