5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole

C41H28N6O — CID 140920098

IUPAC5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2cc(-n3c4ccccc4n4c5ccccc5nc34)ccc2Oc2c(-n3c4ccccc4n4c5ccccc5nc34)cccc21
InChIInChI=1S/C41H28N6O/c1-41(2)26-12-11-21-36(47-35-20-10-9-19-34(35)46-31-16-6-4-14-29(31)43-40(46)47)38(26)48-37-23-22-25(24-27(37)41)44-32-17-7-8-18-33(32)45-30-15-5-3-13-28(30)42-39(44)45/h3-24H,1-2H3
InChIKeyBMOKTEANNIFMAT-UHFFFAOYSA-N
MW620.72 g/mol
LogP9.61
Rot. Bonds2

About 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole

5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140920098) has the molecular formula C41H28N6O and a molecular weight of 620.72 g/mol. Its IUPAC name is 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140920098
Molecular FormulaC41H28N6O
Molecular Weight620.72 g/mol
Exact Mass620.23
IUPAC Name5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2cc(-n3c4ccccc4n4c5ccccc5nc34)ccc2Oc2c(-n3c4ccccc4n4c5ccccc5nc34)cccc21
InChIInChI=1S/C41H28N6O/c1-41(2)26-12-11-21-36(47-35-20-10-9-19-34(35)46-31-16-6-4-14-29(31)43-40(46)47)38(26)48-37-23-22-25(24-27(37)41)44-32-17-7-8-18-33(32)45-30-15-5-3-13-28(30)42-39(44)45/h3-24H,1-2H3
InChIKeyBMOKTEANNIFMAT-UHFFFAOYSA-N
XLogP9.61
TPSA53.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.72
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-bis(trideuteriomethyl)xanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 167413458
6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 157127428
5-[9-(9,9'-spirobi[xanthene]-2-yl)carbazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170785662
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane
CID 161279212
5-[6-tert-butyl-9,9-dimethyl-5-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]xanthen-2-yl]benzimidazolo[1,2-a]benzimidazole;3-(1-deuteriocyclopentyl)-9,9-dimethyl-4-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]xanthene;9,9-dimethyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-(trideuteriomethyl)xanthene;3,9,9-trimethyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]xanthene
CID 159548130
5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7,7-dimethyl-[1,2]benzazaborolo[1,2-a][1,3,2]benzodiazaborole
CID 148671313
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-methyl-phenyl-[3-(5,5,6,6-tetramethylbenzo[b][1]benzoxepin-1-yl)-4-(trideuteriomethyl)phenyl]silane
CID 140937535
6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)thioxanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;6-[9,9-dimethyl-7-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)xanthen-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole;4-methyl-6-[6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-9,9'-spirobi[xanthene]-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 158917197
CID 174069111
CID 174069111
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
CID 174068644
CID 174068644
6-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)benzimidazolo[2,1-b]quinazolin-12-one
CID 70651487

Frequently Asked Questions

What is the IUPAC name of 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 140920098) is 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole is CC1(C)c2cc(-n3c4ccccc4n4c5ccccc5nc34)ccc2Oc2c(-n3c4ccccc4n4c5ccccc5nc34)cccc21.
What is the InChIKey of 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is BMOKTEANNIFMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6O/c1-41(2)26-12-11-21-36(47-35-20-10-9-19-34(35)46-31-16-6-4-14-29(31)43-40(46)47)38(26)48-37-23-22-25(24-27(37)41)44-32-17-7-8-18-33(32)45-30-15-5-3-13-28(30)42-39(44)45/h3-24H,1-2H3.
What are the key properties of 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 620.72 g/mol, XLogP of 9.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140920098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).