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

C41H23N5O2 — CID 135248630

IUPAC5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3ccccc3n21
InChIInChI=1S/C41H23N5O2/c1-7-15-35-26(9-1)28-21-24(17-19-37(28)47-35)31-23-39(44-40(42-31)25-18-20-38-29(22-25)27-10-2-8-16-36(27)48-38)46-34-14-6-5-13-33(34)45-32-12-4-3-11-30(32)43-41(45)46/h1-23H
InChIKeyBEGCXKAHYOZQDP-UHFFFAOYSA-N
MW617.67 g/mol
LogP10.35
Rot. Bonds3

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

5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 135248630) has the molecular formula C41H23N5O2 and a molecular weight of 617.67 g/mol. Its IUPAC name is 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID135248630
Molecular FormulaC41H23N5O2
Molecular Weight617.67 g/mol
Exact Mass617.19
IUPAC Name5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3ccccc3n21
InChIInChI=1S/C41H23N5O2/c1-7-15-35-26(9-1)28-21-24(17-19-37(28)47-35)31-23-39(44-40(42-31)25-18-20-38-29(22-25)27-10-2-8-16-36(27)48-38)46-34-14-6-5-13-33(34)45-32-12-4-3-11-30(32)43-41(45)46/h1-23H
InChIKeyBEGCXKAHYOZQDP-UHFFFAOYSA-N
XLogP10.35
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.67
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
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
[3-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]phenyl]-dibenzofuran-4-yl-diphenylsilane
CID 168826547
5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-phenylpyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-bis(2,4-dimethylphenyl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-[8-[2,6-bis(2,4,6-trimethylphenyl)pyrimidin-4-yl]dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole;5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole;5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole;5-[8-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 160954715
5-[4,6-di(dibenzofuran-4-yl)-2-pyridinyl]benzimidazolo[1,2-a]benzimidazole
CID 135248664
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
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
17-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaene;4-(9-dibenzofuran-2-ylcarbazol-3-yl)-17-phenyl-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;17-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-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 158372183
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole
CID 89433731
5-[3-[8-(3,4-dihydrocarbazol-9-yl)dibenzofuran-2-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146532365
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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole (CID 135248630) is 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)nc1n(-c3cc(-c4ccc5oc6ccccc6c5c4)nc(-c4ccc5oc6ccccc6c5c4)n3)c3ccccc3n21.
What is the InChIKey of 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is BEGCXKAHYOZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N5O2/c1-7-15-35-26(9-1)28-21-24(17-19-37(28)47-35)31-23-39(44-40(42-31)25-18-20-38-29(22-25)27-10-2-8-16-36(27)48-38)46-34-14-6-5-13-33(34)45-32-12-4-3-11-30(32)43-41(45)46/h1-23H.
What are the key properties of 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole?
5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 617.67 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(dibenzofuran-2-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 135248630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).