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

C51H29N9O — CID 121420268

IUPAC2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4oc5c(-n6c7ccccc7n7c8ccccc8nc67)cccc5c34)c3ccccc3n21
InChIInChI=1S/C51H29N9O/c1-4-17-35-32(14-1)52-49-55(38-20-7-8-21-39(38)56(35)49)30-27-28-42-45(29-30)58-37-19-6-3-16-34(37)54-51(58)59(42)43-24-12-26-46-47(43)31-13-11-25-44(48(31)61-46)60-41-23-10-9-22-40(41)57-36-18-5-2-15-33(36)53-50(57)60/h1-29H
InChIKeyLWMORUUPIGSGTG-UHFFFAOYSA-N
MW783.86 g/mol
LogP11.82
Rot. Bonds3

About 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

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 (PubChem CID 121420268) has the molecular formula C51H29N9O and a molecular weight of 783.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID121420268
Molecular FormulaC51H29N9O
Molecular Weight783.86 g/mol
Exact Mass783.25
IUPAC Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4oc5c(-n6c7ccccc7n7c8ccccc8nc67)cccc5c34)c3ccccc3n21
InChIInChI=1S/C51H29N9O/c1-4-17-35-32(14-1)52-49-55(38-20-7-8-21-39(38)56(35)49)30-27-28-42-45(29-30)58-37-19-6-3-16-34(37)54-51(58)59(42)43-24-12-26-46-47(43)31-13-11-25-44(48(31)61-46)60-41-23-10-9-22-40(41)57-36-18-5-2-15-33(36)53-50(57)60/h1-29H
InChIKeyLWMORUUPIGSGTG-UHFFFAOYSA-N
XLogP11.82
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.86
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
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
8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090627
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-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
CID 122546209
5-(4-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(6-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;5-(8-methyldibenzofuran-4-yl)benzimidazolo[1,2-a]benzimidazole;9-(2-methyldibenzofuran-4-yl)carbazole;9-(4-methyldibenzofuran-2-yl)carbazole;9-(8-methyldibenzofuran-4-yl)carbazole
CID 161427199
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)nc1n(-c3ccc4c(c3)n3c5ccccc5nc3n4-c3cccc4oc5c(-n6c7ccccc7n7c8ccccc8nc67)cccc5c34)c3ccccc3n21.
What is the InChIKey of 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?
The InChIKey is LWMORUUPIGSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N9O/c1-4-17-35-32(14-1)52-49-55(38-20-7-8-21-39(38)56(35)49)30-27-28-42-45(29-30)58-37-19-6-3-16-34(37)54-51(58)59(42)43-24-12-26-46-47(43)31-13-11-25-44(48(31)61-46)60-41-23-10-9-22-40(41)57-36-18-5-2-15-33(36)53-50(57)60/h1-29H.
What are the key properties of 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?
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 has a molecular weight of 783.86 g/mol, XLogP of 11.82, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121420268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).