5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole

C51H30Br2IN5O2 — CID 159643988

IUPAC5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole
SMILESBrc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C25H14BrN3O.C14H10N2.C12H6BrIO/c26-15-9-11-23-17(13-15)18-14-16(10-12-24(18)30-23)28-21-7-3-4-8-22(21)29-20-6-2-1-5-19(20)27-25(28)29;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1-8H,9H2;1-6H
InChIKeyMQSIZUHZIBLFDB-UHFFFAOYSA-N
MW1031.55 g/mol
LogP14.98
Rot. Bonds1

About 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole

5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole (PubChem CID 159643988) has the molecular formula C51H30Br2IN5O2 and a molecular weight of 1031.55 g/mol. Its IUPAC name is 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole
PubChem CID159643988
Molecular FormulaC51H30Br2IN5O2
Molecular Weight1031.55 g/mol
Exact Mass1028.98
IUPAC Name5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole
SMILESBrc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.c1ccc2c(c1)Cc1nc3ccccc3n1-2
InChIInChI=1S/C25H14BrN3O.C14H10N2.C12H6BrIO/c26-15-9-11-23-17(13-15)18-14-16(10-12-24(18)30-23)28-21-7-3-4-8-22(21)29-20-6-2-1-5-19(20)27-25(28)29;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1-8H,9H2;1-6H
InChIKeyMQSIZUHZIBLFDB-UHFFFAOYSA-N
XLogP14.98
TPSA66.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.55
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[8-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 88958893
ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420268
17-dibenzofuran-2-yl-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546212
5-[8-[6-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[9-(3-carbazol-9-ylcarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 159498435
9-(8-bromodibenzofuran-2-yl)carbazole;2-bromo-8-iododibenzofuran;2,9-dihydrofluoren-2-ylium
CID 161102177
2-carbazol-9-yl-6-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;3-carbazol-9-yl-9-(8-methyldibenzofuran-2-yl)carbazole;5-(8-methyldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole;9-(8-methyldibenzofuran-1-yl)carbazole;9-(8-methyldibenzofuran-2-yl)carbazole
CID 157203937
[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 123160029
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
2-[3-[8-[3-[8-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-2-methyl-2H-benzimidazol-1-yl]aniline
CID 163629359

Frequently Asked Questions

What is the IUPAC name of 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole?
The IUPAC name of 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole (CID 159643988) is 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole is Brc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3c2c1.Brc1ccc2oc3ccc(I)cc3c2c1.c1ccc2c(c1)Cc1nc3ccccc3n1-2.
What is the InChIKey of 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole?
The InChIKey is MQSIZUHZIBLFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrN3O.C14H10N2.C12H6BrIO/c26-15-9-11-23-17(13-15)18-14-16(10-12-24(18)30-23)28-21-7-3-4-8-22(21)29-20-6-2-1-5-19(20)27-25(28)29;1-3-7-12-10(5-1)9-14-15-11-6-2-4-8-13(11)16(12)14;13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-14H;1-8H,9H2;1-6H.
What are the key properties of 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole?
5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole has a molecular weight of 1031.55 g/mol, XLogP of 14.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-bromodibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;2-bromo-8-iododibenzofuran;11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 159643988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).