5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole

C42H24N4O2 — CID 135248664

IUPAC5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c3ccccc3n21
InChIInChI=1S/C42H24N4O2/c1-7-21-37-27(11-1)29-14-9-13-26(40(29)47-37)25-23-33(31-16-10-15-30-28-12-2-8-22-38(28)48-41(30)31)43-39(24-25)46-36-20-6-5-19-35(36)45-34-18-4-3-17-32(34)44-42(45)46/h1-24H
InChIKeyPSNOWPQJWSUDKO-UHFFFAOYSA-N
MW616.68 g/mol
LogP10.96
Rot. Bonds3

About 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole

5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 135248664) has the molecular formula C42H24N4O2 and a molecular weight of 616.68 g/mol. Its IUPAC name is 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
PubChem CID135248664
Molecular FormulaC42H24N4O2
Molecular Weight616.68 g/mol
Exact Mass616.19
IUPAC Name5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c3ccccc3n21
InChIInChI=1S/C42H24N4O2/c1-7-21-37-27(11-1)29-14-9-13-26(40(29)47-37)25-23-33(31-16-10-15-30-28-12-2-8-22-38(28)48-41(30)31)43-39(24-25)46-36-20-6-5-19-35(36)45-34-18-4-3-17-32(34)44-42(45)46/h1-24H
InChIKeyPSNOWPQJWSUDKO-UHFFFAOYSA-N
XLogP10.96
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)-2-(2-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 161432773
11-(2-dibenzofuran-4-ylbenzimidazolo[1,2-a]benzimidazol-5-yl)benzo[f][1,10]phenanthroline
CID 138463130
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248630
2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923360
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154044
[3-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
CID 168826547
5-[6-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 121420272
2-dibenzofuran-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-2-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-dibenzothiophen-4-yl-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 159706293
9-[6-(6-dibenzofuran-4-yldibenzofuran-4-yl)-2-pyridinyl]carbazole
CID 146266799
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
7-(4-dibenzofuran-4-ylphenyl)-4-(1-phenylbenzimidazol-2-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 171448163
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 140923359

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole (CID 135248664) is 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)nc1n(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)n3)c3ccccc3n21.
What is the InChIKey of 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is PSNOWPQJWSUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O2/c1-7-21-37-27(11-1)29-14-9-13-26(40(29)47-37)25-23-33(31-16-10-15-30-28-12-2-8-22-38(28)48-41(30)31)43-39(24-25)46-36-20-6-5-19-35(36)45-34-18-4-3-17-32(34)44-42(45)46/h1-24H.
What are the key properties of 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole?
5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 616.68 g/mol, XLogP of 10.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 135248664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).