5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C46H28N10 — CID 140948081

IUPAC5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cnc(-c6ccccc6)nc5)cc4n4c5ccccc5nc34)cn2)cc1
InChIInChI=1S/C46H28N10/c1-3-11-29(12-4-1)43-47-25-33(26-48-43)53-39-21-19-31(23-41(39)55-37-17-9-7-15-35(37)51-45(53)55)32-20-22-40-42(24-32)56-38-18-10-8-16-36(38)52-46(56)54(40)34-27-49-44(50-28-34)30-13-5-2-6-14-30/h1-28H
InChIKeyOZLDJCFGWYOAAO-UHFFFAOYSA-N
MW720.80 g/mol
LogP9.76
Rot. Bonds5

About 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140948081) has the molecular formula C46H28N10 and a molecular weight of 720.80 g/mol. Its IUPAC name is 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140948081
Molecular FormulaC46H28N10
Molecular Weight720.80 g/mol
Exact Mass720.25
IUPAC Name5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cnc(-c6ccccc6)nc5)cc4n4c5ccccc5nc34)cn2)cc1
InChIInChI=1S/C46H28N10/c1-3-11-29(12-4-1)43-47-25-33(26-48-43)53-39-21-19-31(23-41(39)55-37-17-9-7-15-35(37)51-45(53)55)32-20-22-40-42(24-32)56-38-18-10-8-16-36(38)52-46(56)54(40)34-27-49-44(50-28-34)30-13-5-2-6-14-30/h1-28H
InChIKeyOZLDJCFGWYOAAO-UHFFFAOYSA-N
XLogP9.76
TPSA96.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.80
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
2-dibenzofuran-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 138463178
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(3,5-diphenylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)benzimidazolo[1,2-a]benzimidazole
CID 138463116
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
2-(9H-fluoren-1-yl)-5-phenylbenzimidazolo[1,2-a]benzimidazole
CID 157068240
2-tert-butyl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazolo[1,2-a]benzimidazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trideuteriomethyl)benzimidazolo[1,2-a]benzimidazole
CID 161312115
9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646730

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 140948081) is 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2ncc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cnc(-c6ccccc6)nc5)cc4n4c5ccccc5nc34)cn2)cc1.
What is the InChIKey of 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is OZLDJCFGWYOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N10/c1-3-11-29(12-4-1)43-47-25-33(26-48-43)53-39-21-19-31(23-41(39)55-37-17-9-7-15-35(37)51-45(53)55)32-20-22-40-42(24-32)56-38-18-10-8-16-36(38)52-46(56)54(40)34-27-49-44(50-28-34)30-13-5-2-6-14-30/h1-28H.
What are the key properties of 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 720.80 g/mol, XLogP of 9.76, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrimidin-5-yl)-2-[5-(2-phenylpyrimidin-5-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).