bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C144H125B4Br2ClN6O8 — CID 157186530

About bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157186530) has the molecular formula C144H125B4Br2ClN6O8 and a molecular weight of 2306.13 g/mol. Its IUPAC name is bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157186530
• Molecular Formula: C144H125B4Br2ClN6O8
• Molecular Weight: 2306.13 g/mol
• Exact Mass: 2302.80
• IUPAC Name: bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1cccc(-c2cccc(-c3cccc4c3ccc3cccnc34)c2)c1.Brc1cccc(-c2cccc(-c3cccc4c3ccc3cccnc34)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc5c4ccc4cccnc45)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc5c4ccc4cccnc45)c3)c2)OC1(C)C.Clc1nc2ccccc2nc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/2C31H28BNO2.2C25H16BrN.C20H13ClN2.C12H24B2O4/c2*1-30(2)31(3,4)35-32(34-30)25-13-6-10-23(20-25)22-9-5-11-24(19-22)26-14-7-15-28-27(26)17-16-21-12-8-18-33-29(21)28;2*26-21-9-2-6-19(16-21)18-5-1-7-20(15-18)22-10-3-11-24-23(22)13-12-17-8-4-14-27-25(17)24;21-20-19(22-17-8-4-5-9-18(17)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*5-20H,1-4H3;2*1-16H;1-13H;1-8H3
• InChIKey: APEMUMWMRKOAOP-UHFFFAOYSA-N
• XLogP: 36.88
• TPSA: 151.18 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2306.13
LogP ≤ 5	36.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157186530) is bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1cccc(-c2cccc(-c3cccc4c3ccc3cccnc34)c2)c1.Brc1cccc(-c2cccc(-c3cccc4c3ccc3cccnc34)c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc5c4ccc4cccnc45)c3)c2)OC1(C)C.CC1(C)OB(c2cccc(-c3cccc(-c4cccc5c4ccc4cccnc45)c3)c2)OC1(C)C.Clc1nc2ccccc2nc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is APEMUMWMRKOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H28BNO2.2C25H16BrN.C20H13ClN2.C12H24B2O4/c2*1-30(2)31(3,4)35-32(34-30)25-13-6-10-23(20-25)22-9-5-11-24(19-22)26-14-7-15-28-27(26)17-16-21-12-8-18-33-29(21)28;2*26-21-9-2-6-19(16-21)18-5-1-7-20(15-18)22-10-3-11-24-23(22)13-12-17-8-4-14-27-25(17)24;21-20-19(22-17-8-4-5-9-18(17)23-20)16-12-10-15(11-13-16)14-6-2-1-3-7-14;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h2*5-20H,1-4H3;2*1-16H;1-13H;1-8H3.

What are the key properties of bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2306.13 g/mol, XLogP of 36.88, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(7-[3-(3-bromophenyl)phenyl]benzo[h]quinoline);2-chloro-3-(4-phenylphenyl)quinoxaline;bis(7-[3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzo[h]quinoline);4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157186530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).