5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole

C43H27N7 — CID 139407569

IUPAC5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4n4c5ccccc5cc34)n2)cc1
InChIInChI=1S/C43H27N7/c1-3-13-28(14-4-1)33-27-34(29-15-5-2-6-16-29)45-42(44-33)50-39-24-23-31(26-40(39)48-35-19-9-7-17-30(35)25-41(48)50)47-37-21-11-12-22-38(37)49-36-20-10-8-18-32(36)46-43(47)49/h1-27H
InChIKeyPMKMDVTVTTYMON-UHFFFAOYSA-N
MW641.74 g/mol
LogP9.91
Rot. Bonds4

About 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole

5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 139407569) has the molecular formula C43H27N7 and a molecular weight of 641.74 g/mol. Its IUPAC name is 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID139407569
Molecular FormulaC43H27N7
Molecular Weight641.74 g/mol
Exact Mass641.23
IUPAC Name5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4n4c5ccccc5cc34)n2)cc1
InChIInChI=1S/C43H27N7/c1-3-13-28(14-4-1)33-27-34(29-15-5-2-6-16-29)45-42(44-33)50-39-24-23-31(26-40(39)48-35-19-9-7-17-30(35)25-41(48)50)47-37-21-11-12-22-38(37)49-36-20-10-8-18-32(36)46-43(47)49/h1-27H
InChIKeyPMKMDVTVTTYMON-UHFFFAOYSA-N
XLogP9.91
TPSA57.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.74
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

10-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]indolo[1,2-a]benzimidazole
CID 139407585
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-indolo[1,2-a]benzimidazol-10-ylbenzimidazolo[1,2-a]benzimidazole
CID 139407431
17-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-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
CID 138571403
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-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
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
10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[1,2-a]benzimidazole
CID 139407350
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
[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-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
10-(4-phenylquinazolin-2-yl)indolo[1,2-a]benzimidazole
CID 139407423

Frequently Asked Questions

What is the IUPAC name of 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole (CID 139407569) is 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4n4c5ccccc5cc34)n2)cc1.
What is the InChIKey of 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is PMKMDVTVTTYMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N7/c1-3-13-28(14-4-1)33-27-34(29-15-5-2-6-16-29)45-42(44-33)50-39-24-23-31(26-40(39)48-35-19-9-7-17-30(35)25-41(48)50)47-37-21-11-12-22-38(37)49-36-20-10-8-18-32(36)46-43(47)49/h1-27H.
What are the key properties of 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole?
5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 641.74 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(4,6-diphenylpyrimidin-2-yl)indolo[1,2-a]benzimidazol-7-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 139407569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).