3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole

C57H32Br3N9 — CID 145283685

IUPAC3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc2c(c1)nc1n(-c3ccccc3)c3cccc(-c4ccc(-n5c6cccc(-c7ccc(-n8c9ccccc9n9c%10c(Br)cccc%10nc89)cc7)c6n6c7cccc(Br)c7nc56)cc4)c3n21
InChIInChI=1S/C57H32Br3N9/c58-35-26-31-45-44(32-35)62-56-65(36-10-2-1-3-11-36)49-20-6-12-39(52(49)67(45)56)33-24-29-38(30-25-33)66-50-21-7-13-40(53(50)69-48-19-9-14-41(59)51(48)63-57(66)69)34-22-27-37(28-23-34)64-46-17-4-5-18-47(46)68-54-42(60)15-8-16-43(54)61-55(64)68/h1-32H
InChIKeyVHQPWVPEZAWNQU-UHFFFAOYSA-N
MW1082.66 g/mol
LogP15.54
Rot. Bonds5

About 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole

3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 145283685) has the molecular formula C57H32Br3N9 and a molecular weight of 1082.66 g/mol. Its IUPAC name is 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID145283685
Molecular FormulaC57H32Br3N9
Molecular Weight1082.66 g/mol
Exact Mass1079.03
IUPAC Name3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc2c(c1)nc1n(-c3ccccc3)c3cccc(-c4ccc(-n5c6cccc(-c7ccc(-n8c9ccccc9n9c%10c(Br)cccc%10nc89)cc7)c6n6c7cccc(Br)c7nc56)cc4)c3n21
InChIInChI=1S/C57H32Br3N9/c58-35-26-31-45-44(32-35)62-56-65(36-10-2-1-3-11-36)49-20-6-12-39(52(49)67(45)56)33-24-29-38(30-25-33)66-50-21-7-13-40(53(50)69-48-19-9-14-41(59)51(48)63-57(66)69)34-22-27-37(28-23-34)64-46-17-4-5-18-47(46)68-54-42(60)15-8-16-43(54)61-55(64)68/h1-32H
InChIKeyVHQPWVPEZAWNQU-UHFFFAOYSA-N
XLogP15.54
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.66
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

4-(3,3-Dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2-tetradeuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
CID 158270896
4-(2-Deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2-deuteriopropan-2-yl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2,3,4,4,4-hexadeuterio-3-methylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-propyl-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trideuteriobutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(1,1,1-trideuterio-2-methylpropan-2-yl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
CID 159185151
4-(2,2-Dideuteriopropyl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-[3-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(2,2,4,4,4-pentadeuteriobutyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(2,3,3,3-tetradeuterio-2-methylpropyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-methyl-6-[3-[4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 160721454
4-(3,3-Dimethylbutyl)-6-[3-[4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-6-[3-[4-(1,1,1,2-tetradeuteriopropan-2-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole;4-(2,2,2-trideuterioethyl)-6-[3-[4-(2,2,2-trideuterioethyl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 163444642
4-(Cyclopentylmethyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-[(1-deuteriocyclopentyl)methyl]-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
CID 163757880
4-(2-Deuterio-2-methylpropyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;4-(2,2-dideuterio-3,3-dimethylbutyl)-6-tetraphenylen-2-ylbenzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(2,2,3-trideuterio-3-methylbutyl)benzimidazolo[1,2-a]benzimidazole;6-tetraphenylen-2-yl-4-(4,4,4-trifluoro-3,3-dimethylbutyl)benzimidazolo[1,2-a]benzimidazole
CID 164119997
12-[4-(4-Carbazol-9-ylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 57997119
11-Phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 57997127
6,6',16,16'-Tetraphenyl-11,11'-spirobi[3,10,12,19-tetraza-11-silapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),2,4(9),5,7,13(18),14,16-octaene]
CID 58249902
5-[9-(3-Bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 68378174
5-[3-[3-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 68378196
5-[4-[4-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 68378216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole (CID 145283685) is 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole is Brc1ccc2c(c1)nc1n(-c3ccccc3)c3cccc(-c4ccc(-n5c6cccc(-c7ccc(-n8c9ccccc9n9c%10c(Br)cccc%10nc89)cc7)c6n6c7cccc(Br)c7nc56)cc4)c3n21.
What is the InChIKey of 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is VHQPWVPEZAWNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32Br3N9/c58-35-26-31-45-44(32-35)62-56-65(36-10-2-1-3-11-36)49-20-6-12-39(52(49)67(45)56)33-24-29-38(30-25-33)66-50-21-7-13-40(53(50)69-48-19-9-14-41(59)51(48)63-57(66)69)34-22-27-37(28-23-34)64-46-17-4-5-18-47(46)68-54-42(60)15-8-16-43(54)61-55(64)68/h1-32H.
What are the key properties of 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole?
3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 1082.66 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-10-[4-[4-bromo-10-[4-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)phenyl]benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-6-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 145283685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).