1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C199H176B4Br5IN10O8 — CID 158411705

About 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158411705) has the molecular formula C199H176B4Br5IN10O8 and a molecular weight of 3405.33 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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: 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158411705
• Molecular Formula: C199H176B4Br5IN10O8
• Molecular Weight: 3405.33 g/mol
• Exact Mass: 3398.90
• IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccc(I)cc1.CC.CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)[nH]c1ccccc12
• InChI: InChI=1S/C49H33N3.C30H28BNO2.C25H25BN2O2.C25H17BrN2.C24H16BrN.C12H24B2O4.C12H8Br2.C12H9N.C6H4BrI.2C2H6/c1-2-10-41(11-3-1)52-48-17-9-6-14-45(48)50-49(52)40-28-26-38(27-29-40)36-20-18-34(19-21-36)35-22-24-37(25-23-35)39-30-32-42(33-31-39)51-46-15-7-4-12-43(46)44-13-5-8-16-47(44)51;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-1-3-6(8)4-2-5;2*1-2/h1-33H;5-20H,1-4H3;5-17H,1-4H3;1-17H;1-16H;1-8H3;1-8H;1-8,13H;1-4H;2*1-2H3
• InChIKey: GZJXTCSHAYWINB-UHFFFAOYSA-N
• XLogP: 54.42
• TPSA: 157.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3405.33
LogP ≤ 5	54.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158411705) is 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccc(I)cc1.CC.CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)OC1(C)C.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.c1ccc(-n2c(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5)cc4)cc3)nc3ccccc32)cc1.c1ccc2c(c1)[nH]c1ccccc12.

What is the InChIKey of 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is GZJXTCSHAYWINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3.C30H28BNO2.C25H25BN2O2.C25H17BrN2.C24H16BrN.C12H24B2O4.C12H8Br2.C12H9N.C6H4BrI.2C2H6/c1-2-10-41(11-3-1)52-48-17-9-6-14-45(48)50-49(52)40-28-26-38(27-29-40)36-20-18-34(19-21-36)35-22-24-37(25-23-35)39-30-32-42(33-31-39)51-46-15-7-4-12-43(46)44-13-5-8-16-47(44)51;1-29(2)30(3,4)34-31(33-29)23-17-13-21(14-18-23)22-15-19-24(20-16-22)32-27-11-7-5-9-25(27)26-10-6-8-12-28(26)32;1-24(2)25(3,4)30-26(29-24)19-16-14-18(15-17-19)23-27-21-12-8-9-13-22(21)28(23)20-10-6-5-7-11-20;26-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25-27-23-8-4-5-9-24(23)28(25)22-6-2-1-3-7-22;25-19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-23-7-3-1-5-21(23)22-6-2-4-8-24(22)26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-5-1-3-6(8)4-2-5;2*1-2/h1-33H;5-20H,1-4H3;5-17H,1-4H3;1-17H;1-16H;1-8H3;1-8H;1-8,13H;1-4H;2*1-2H3.

What are the key properties of 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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 3405.33 g/mol, XLogP of 54.42, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-carbazole;ethane;9-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]carbazole;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]carbazole;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 158411705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).