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;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

C146H131B4Br5IN7O8 — CID 158025750

IUPAC1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-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
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccc(I)cc1.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.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H28BNO2.C25H25BN2O2.C25H17BrN2.C24H16BrN.C12H24B2O4.C12H8Br2.C12H9N.C6H4BrI/c1-29(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/h5-20H,1-4H3;5-17H,1-4H3;1-17H;1-16H;1-8H3;1-8H;1-8,13H;1-4H
InChIKeyFGOWLINSYSSESN-UHFFFAOYSA-N
MW2681.37 g/mol
LogP39.58
Rot. Bonds13

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;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;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 158025750) has the molecular formula C146H131B4Br5IN7O8 and a molecular weight of 2681.37 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;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 Name1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-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 CID158025750
Molecular FormulaC146H131B4Br5IN7O8
Molecular Weight2681.37 g/mol
Exact Mass2675.54
IUPAC Name1-bromo-4-(4-bromophenyl)benzene;1-bromo-4-iodobenzene;9-[4-(4-bromophenyl)phenyl]carbazole;2-[4-(4-bromophenyl)phenyl]-1-phenylbenzimidazole;9H-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
SMILESBrc1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccc(I)cc1.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.c1ccc2c(c1)[nH]c1ccccc12
InChIInChI=1S/C30H28BNO2.C25H25BN2O2.C25H17BrN2.C24H16BrN.C12H24B2O4.C12H8Br2.C12H9N.C6H4BrI/c1-29(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/h5-20H,1-4H3;5-17H,1-4H3;1-17H;1-16H;1-8H3;1-8H;1-8,13H;1-4H
InChIKeyFGOWLINSYSSESN-UHFFFAOYSA-N
XLogP39.58
TPSA135.13 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms171
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002681.37
LogP ≤ 539.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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;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 with MolForge

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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;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;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 158025750) 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;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;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;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.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.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;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 FGOWLINSYSSESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BNO2.C25H25BN2O2.C25H17BrN2.C24H16BrN.C12H24B2O4.C12H8Br2.C12H9N.C6H4BrI/c1-29(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/h5-20H,1-4H3;5-17H,1-4H3;1-17H;1-16H;1-8H3;1-8H;1-8,13H;1-4H.
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;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;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 2681.37 g/mol, XLogP of 39.58, 13 rotatable bonds, 1 hydrogen bond donors, and 14 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;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 158025750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).