1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

C122H105BBr3N7O2 — CID 159821654

IUPAC1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C45H35N3.C26H22BrN.C25H25BN2O2.C14H15N.C12H8Br2/c1-32-12-26-40(27-13-32)47(41-28-14-33(2)15-29-41)42-30-24-37(25-31-42)35-18-16-34(17-19-35)36-20-22-38(23-21-36)45-46-43-10-6-7-11-44(43)48(45)39-8-4-3-5-9-39;1-19-3-13-24(14-4-19)28(25-15-5-20(2)6-16-25)26-17-9-22(10-18-26)21-7-11-23(27)12-8-21;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;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-31H,1-2H3;3-18H,1-2H3;5-17H,1-4H3;3-10,15H,1-2H3;1-8H
InChIKeyNMHVRAGVRMURFT-UHFFFAOYSA-N
MW1951.75 g/mol
LogP34.23
Rot. Bonds17

About 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (PubChem CID 159821654) has the molecular formula C122H105BBr3N7O2 and a molecular weight of 1951.75 g/mol. Its IUPAC name is 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
PubChem CID159821654
Molecular FormulaC122H105BBr3N7O2
Molecular Weight1951.75 g/mol
Exact Mass1947.60
IUPAC Name1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole
SMILESBrc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C45H35N3.C26H22BrN.C25H25BN2O2.C14H15N.C12H8Br2/c1-32-12-26-40(27-13-32)47(41-28-14-33(2)15-29-41)42-30-24-37(25-31-42)35-18-16-34(17-19-35)36-20-22-38(23-21-36)45-46-43-10-6-7-11-44(43)48(45)39-8-4-3-5-9-39;1-19-3-13-24(14-4-19)28(25-15-5-20(2)6-16-25)26-17-9-22(10-18-26)21-7-11-23(27)12-8-21;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;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-31H,1-2H3;3-18H,1-2H3;5-17H,1-4H3;3-10,15H,1-2H3;1-8H
InChIKeyNMHVRAGVRMURFT-UHFFFAOYSA-N
XLogP34.23
TPSA72.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001951.75
LogP ≤ 534.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole with MolForge

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Related Compounds

1-(4-bromophenyl)-N-[4-[5-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
CID 135971364
2-[3-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-2,6-diphenyl-3,4-dihydropyridin-5-yl]-1H-benzimidazole
CID 155561926
1-(4-bromophenyl)-N-[4-[6-[2-[4-[(4-bromophenyl)methylideneamino]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]methanimine
CID 45488771
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 164758316
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 164758354
12-[4-[3-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 174004939
1,4-[Bis(2-methylbenzimidazol-1-yl)methyl]benzene, (4-bromobenzacetoxime)2
CID 139145637
2-[5-(1H-benzimidazol-2-yl)-4-(4-bromophenyl)-2,6-diphenyl-1,4-dihydropyridin-3-yl]-1H-benzimidazole
CID 4589276
1-Phenyl-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]benzimidazole
CID 58340444
2-[2,5-Dibromo-4-[1-(4-hexylphenyl)benzimidazol-2-yl]phenyl]-1-(4-hexylphenyl)benzimidazole
CID 58981534
2,2'-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-phenylene)bis(1-phenyl-1H-benzo[d]imidazole)
CID 90199535
1,3,5-Tris(1-(4-bromophenyl)-1H-benzo[d]imidazol-2-yl)benzene
CID 90281752

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole (CID 159821654) is 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is Brc1ccc(-c2ccc(Br)cc2)cc1.CC1(C)OB(c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)OC1(C)C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(Br)cc3)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
The InChIKey is NMHVRAGVRMURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3.C26H22BrN.C25H25BN2O2.C14H15N.C12H8Br2/c1-32-12-26-40(27-13-32)47(41-28-14-33(2)15-29-41)42-30-24-37(25-31-42)35-18-16-34(17-19-35)36-20-22-38(23-21-36)45-46-43-10-6-7-11-44(43)48(45)39-8-4-3-5-9-39;1-19-3-13-24(14-4-19)28(25-15-5-20(2)6-16-25)26-17-9-22(10-18-26)21-7-11-23(27)12-8-21;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;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h3-31H,1-2H3;3-18H,1-2H3;5-17H,1-4H3;3-10,15H,1-2H3;1-8H.
What are the key properties of 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole?
1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole has a molecular weight of 1951.75 g/mol, XLogP of 34.23, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]aniline;1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 159821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).