bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline

C233H220B2Br4Cl2N6O4 — CID 157200223

About bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline

bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline (PubChem CID 157200223) has the molecular formula C233H220B2Br4Cl2N6O4 and a molecular weight of 3580.51 g/mol. Its IUPAC name is bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline.

Molecular Properties

• Compound Name: bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
• PubChem CID: 157200223
• Molecular Formula: C233H220B2Br4Cl2N6O4
• Molecular Weight: 3580.51 g/mol
• Exact Mass: 3573.35
• IUPAC Name: bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline
• SMILES: Brc1cccc(-c2ncc(C3CCCCC3)c3ccccc23)c1.Brc1cccc(-c2nccc3ccccc23)c1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(-c%10ncc(C%11CCCCC%11)c%11ccccc%10%11)c9)ccc7-8)ccc5-6)ccc3-4)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8nccc9ccccc89)c7)ccc5-6)ccc3-4)cc21.Clc1ncc(C2CCCCC2)c2ccccc12.Clc1nccc2ccccc12.OB(O)c1cccc(Br)c1.OB(O)c1cccc(Br)c1
• InChI: InChI=1S/C91H89N.C70H67N.C21H20BrN.C15H10BrN.C15H16ClN.C9H6ClN.2C6H6BBrO2/c1-9-11-13-22-47-91(48-23-14-12-10-2)79-32-21-20-30-69(79)76-46-39-66(56-86(76)91)65-38-45-75-74-44-37-64(54-84(74)90(7,8)85(75)55-65)63-36-43-73-72-42-35-62(52-82(72)89(5,6)83(73)53-63)61-34-41-71-70-40-33-60(50-80(70)88(3,4)81(71)51-61)59-27-24-28-67(49-59)87-77-31-19-18-29-68(77)78(57-92-87)58-25-16-15-17-26-58;1-7-9-11-17-37-70(38-18-12-10-8-2)61-25-16-15-24-55(61)60-35-30-52(45-66(60)70)51-29-34-59-58-33-28-50(43-64(58)69(5,6)65(59)44-51)49-27-32-57-56-31-26-48(41-62(56)68(3,4)63(57)42-49)47-21-19-22-53(40-47)67-54-23-14-13-20-46(54)36-39-71-67;22-17-10-6-9-16(13-17)21-19-12-5-4-11-18(19)20(14-23-21)15-7-2-1-3-8-15;16-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15;16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11;10-9-8-4-2-1-3-7(8)5-6-11-9;2*8-6-3-1-2-5(4-6)7(9)10/h18-21,24,27-46,49-58H,9-17,22-23,25-26,47-48H2,1-8H3;13-16,19-36,39-45H,7-12,17-18,37-38H2,1-6H3;4-6,9-15H,1-3,7-8H2;1-10H;4-5,8-11H,1-3,6-7H2;1-6H;2*1-4,9-10H
• InChIKey: AQSDPCPPLVDIMG-UHFFFAOYSA-N
• XLogP: 64.92
• TPSA: 158.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 36
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3580.51
LogP ≤ 5	64.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline?

The IUPAC name of bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline (CID 157200223) is bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline.

What is the SMILES notation for bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline?

The canonical SMILES for bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline is Brc1cccc(-c2ncc(C3CCCCC3)c3ccccc23)c1.Brc1cccc(-c2nccc3ccccc23)c1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc(-c9cccc(-c%10ncc(C%11CCCCC%11)c%11ccccc%10%11)c9)ccc7-8)ccc5-6)ccc3-4)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)C(C)(C)c5cc(-c7cccc(-c8nccc9ccccc89)c7)ccc5-6)ccc3-4)cc21.Clc1ncc(C2CCCCC2)c2ccccc12.Clc1nccc2ccccc12.OB(O)c1cccc(Br)c1.OB(O)c1cccc(Br)c1.

What is the InChIKey of bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline?

The InChIKey is AQSDPCPPLVDIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H89N.C70H67N.C21H20BrN.C15H10BrN.C15H16ClN.C9H6ClN.2C6H6BBrO2/c1-9-11-13-22-47-91(48-23-14-12-10-2)79-32-21-20-30-69(79)76-46-39-66(56-86(76)91)65-38-45-75-74-44-37-64(54-84(74)90(7,8)85(75)55-65)63-36-43-73-72-42-35-62(52-82(72)89(5,6)83(73)53-63)61-34-41-71-70-40-33-60(50-80(70)88(3,4)81(71)51-61)59-27-24-28-67(49-59)87-77-31-19-18-29-68(77)78(57-92-87)58-25-16-15-17-26-58;1-7-9-11-17-37-70(38-18-12-10-8-2)61-25-16-15-24-55(61)60-35-30-52(45-66(60)70)51-29-34-59-58-33-28-50(43-64(58)69(5,6)65(59)44-51)49-27-32-57-56-31-26-48(41-62(56)68(3,4)63(57)42-49)47-21-19-22-53(40-47)67-54-23-14-13-20-46(54)36-39-71-67;22-17-10-6-9-16(13-17)21-19-12-5-4-11-18(19)20(14-23-21)15-7-2-1-3-8-15;16-13-6-3-5-12(10-13)15-14-7-2-1-4-11(14)8-9-17-15;16-15-13-9-5-4-8-12(13)14(10-17-15)11-6-2-1-3-7-11;10-9-8-4-2-1-3-7(8)5-6-11-9;2*8-6-3-1-2-5(4-6)7(9)10/h18-21,24,27-46,49-58H,9-17,22-23,25-26,47-48H2,1-8H3;13-16,19-36,39-45H,7-12,17-18,37-38H2,1-6H3;4-6,9-15H,1-3,7-8H2;1-10H;4-5,8-11H,1-3,6-7H2;1-6H;2*1-4,9-10H.

What are the key properties of bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline?

bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline has a molecular weight of 3580.51 g/mol, XLogP of 64.92, 36 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis((3-bromophenyl)boronic acid);1-(3-bromophenyl)-4-cyclohexylisoquinoline;1-(3-bromophenyl)isoquinoline;1-chloro-4-cyclohexylisoquinoline;1-chloroisoquinoline;4-cyclohexyl-1-[3-[7-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline;1-[3-[7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]isoquinoline is sourced from PubChem (CID 157200223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).