4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole

C62H38Br2N6 — CID 145283721

IUPAC4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5n5c6c(Br)cccc6nc45)c3)cc2)c2c1nc1n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3n21
InChIInChI=1S/C62H38Br2N6/c63-51-32-31-50(59-58(51)66-62-68(54-23-10-12-25-56(54)69(59)62)49-36-44(39-15-4-1-5-16-39)33-45(37-49)40-17-6-2-7-18-40)43-29-27-42(28-30-43)47-34-46(41-19-8-3-9-20-41)35-48(38-47)67-55-24-11-13-26-57(55)70-60-52(64)21-14-22-53(60)65-61(67)70/h1-38H
InChIKeyWNQVJKIIIDENDU-UHFFFAOYSA-N
MW1026.84 g/mol
LogP17.04
Rot. Bonds7

About 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole

4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 145283721) has the molecular formula C62H38Br2N6 and a molecular weight of 1026.84 g/mol. Its IUPAC name is 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID145283721
Molecular FormulaC62H38Br2N6
Molecular Weight1026.84 g/mol
Exact Mass1024.15
IUPAC Name4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESBrc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5n5c6c(Br)cccc6nc45)c3)cc2)c2c1nc1n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3n21
InChIInChI=1S/C62H38Br2N6/c63-51-32-31-50(59-58(51)66-62-68(54-23-10-12-25-56(54)69(59)62)49-36-44(39-15-4-1-5-16-39)33-45(37-49)40-17-6-2-7-18-40)43-29-27-42(28-30-43)47-34-46(41-19-8-3-9-20-41)35-48(38-47)67-55-24-11-13-26-57(55)70-60-52(64)21-14-22-53(60)65-61(67)70/h1-38H
InChIKeyWNQVJKIIIDENDU-UHFFFAOYSA-N
XLogP17.04
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.84
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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Related Compounds

12-[4-(3,5-Diphenylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 57997157
1,2,6,7-Tetramethyl-3,8-bis(1-phenylbenzimidazol-2-yl)indolo[7,6-g]indole
CID 58175203
9-[3-[3-Bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 58500867
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
5-[6-(Benzimidazolo[1,2-a]benzimidazol-5-yl)-9-phenylcarbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 68378218
6-Phenyl-3-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]benzimidazole
CID 70652228
9-[3-Bromo-5-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]carbazole
CID 89948242
9-[3-(1-Phenylbenzimidazol-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 89953668
5-[9-[3-(3-Methylphenyl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 90090656
3,6,7,19-Tetraphenyl-15-(9-phenylcarbazol-3-yl)-3,5,7,19-tetrazapentacyclo[10.7.0.02,9.04,8.013,18]nonadeca-1(12),2(9),4(8),5,10,13(18),14,16-octaene
CID 90231456

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 145283721) is 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole is Brc1ccc(-c2ccc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5n5c6c(Br)cccc6nc45)c3)cc2)c2c1nc1n(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc3n21.
What is the InChIKey of 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is WNQVJKIIIDENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38Br2N6/c63-51-32-31-50(59-58(51)66-62-68(54-23-10-12-25-56(54)69(59)62)49-36-44(39-15-4-1-5-16-39)33-45(37-49)40-17-6-2-7-18-40)43-29-27-42(28-30-43)47-34-46(41-19-8-3-9-20-41)35-48(38-47)67-55-24-11-13-26-57(55)70-60-52(64)21-14-22-53(60)65-61(67)70/h1-38H.
What are the key properties of 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole?
4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 1026.84 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[4-[3-(1-bromobenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenylphenyl]phenyl]-6-(3,5-diphenylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 145283721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).