1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole

C148H104BBr3N20O3 — CID 161263598

IUPAC1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1.CC1(C)OB(c2ccc3nc4n(-c5ccccc5)c5ccccc5n4c3c2)OC1(C)C.Nc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7nc8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C52H33N7.C33H21BrN4.C25H24BN3O2.C19H14BrN3O.C19H12BrN3/c1-4-15-34(16-5-1)49-54-50(35-17-6-2-7-18-35)56-51(55-49)38-19-14-22-40(31-38)57-44-24-11-10-23-41(44)42-32-36(28-30-45(42)57)37-27-29-43-48(33-37)59-47-26-13-12-25-46(47)58(52(59)53-43)39-20-8-3-9-21-39;34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;1-24(2)25(3,4)31-26(30-24)17-14-15-19-22(16-17)29-21-13-9-8-12-20(21)28(23(29)27-19)18-10-6-5-7-11-18;20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14;20-13-10-11-15-18(12-13)23-17-9-5-4-8-16(17)22(19(23)21-15)14-6-2-1-3-7-14/h1-33H;1-21H;5-16H,1-4H3;1-12H,21H2;1-12H
InChIKeyVCWOQLCIYXKHNH-UHFFFAOYSA-N
MW2461.12 g/mol
LogP35.16
Rot. Bonds15

About 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole

1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 161263598) has the molecular formula C148H104BBr3N20O3 and a molecular weight of 2461.12 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID161263598
Molecular FormulaC148H104BBr3N20O3
Molecular Weight2461.12 g/mol
Exact Mass2456.62
IUPAC Name1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1.CC1(C)OB(c2ccc3nc4n(-c5ccccc5)c5ccccc5n4c3c2)OC1(C)C.Nc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7nc8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)n2)cc1
InChIInChI=1S/C52H33N7.C33H21BrN4.C25H24BN3O2.C19H14BrN3O.C19H12BrN3/c1-4-15-34(16-5-1)49-54-50(35-17-6-2-7-18-35)56-51(55-49)38-19-14-22-40(31-38)57-44-24-11-10-23-41(44)42-32-36(28-30-45(42)57)37-27-29-43-48(33-37)59-47-26-13-12-25-46(47)58(52(59)53-43)39-20-8-3-9-21-39;34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;1-24(2)25(3,4)31-26(30-24)17-14-15-19-22(16-17)29-21-13-9-8-12-20(21)28(23(29)27-19)18-10-6-5-7-11-18;20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14;20-13-10-11-15-18(12-13)23-17-9-5-4-8-16(17)22(19(23)21-15)14-6-2-1-3-7-14/h1-33H;1-21H;5-16H,1-4H3;1-12H,21H2;1-12H
InChIKeyVCWOQLCIYXKHNH-UHFFFAOYSA-N
XLogP35.16
TPSA225.30 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.12
LogP ≤ 535.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole (CID 161263598) is 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole is Brc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.Brc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1.CC1(C)OB(c2ccc3nc4n(-c5ccccc5)c5ccccc5n4c3c2)OC1(C)C.Nc1ccc(Br)cc1-n1c(=O)n(-c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7nc8n(-c9ccccc9)c9ccccc9n8c7c6)ccc54)c3)n2)cc1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is VCWOQLCIYXKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7.C33H21BrN4.C25H24BN3O2.C19H14BrN3O.C19H12BrN3/c1-4-15-34(16-5-1)49-54-50(35-17-6-2-7-18-35)56-51(55-49)38-19-14-22-40(31-38)57-44-24-11-10-23-41(44)42-32-36(28-30-45(42)57)37-27-29-43-48(33-37)59-47-26-13-12-25-46(47)58(52(59)53-43)39-20-8-3-9-21-39;34-25-18-19-30-28(21-25)27-16-7-8-17-29(27)38(30)26-15-9-14-24(20-26)33-36-31(22-10-3-1-4-11-22)35-32(37-33)23-12-5-2-6-13-23;1-24(2)25(3,4)31-26(30-24)17-14-15-19-22(16-17)29-21-13-9-8-12-20(21)28(23(29)27-19)18-10-6-5-7-11-18;20-13-10-11-15(21)18(12-13)23-17-9-5-4-8-16(17)22(19(23)24)14-6-2-1-3-7-14;20-13-10-11-15-18(12-13)23-17-9-5-4-8-16(17)22(19(23)21-15)14-6-2-1-3-7-14/h1-33H;1-21H;5-16H,1-4H3;1-12H,21H2;1-12H.
What are the key properties of 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole?
1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 2461.12 g/mol, XLogP of 35.16, 15 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-3-phenylbenzimidazol-2-one;3-bromo-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole;6-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 161263598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).