methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one

C41H32N2O2 — CID 54246680

IUPACmethoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
SMILESCCOC.O=C1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2nc3ccccc3n21
InChIInChI=1S/C38H24N2O.C3H8O/c41-38-36-34(28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)31(25-15-5-1-6-16-25)33(27-19-9-3-10-20-27)35(36)37-39-29-23-13-14-24-30(29)40(37)38;1-3-4-2/h1-24H;3H2,1-2H3
InChIKeyQTTDUCWFAVNJRI-UHFFFAOYSA-N
MW584.72 g/mol
LogP10.03
Rot. Bonds5

About methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one

methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one (PubChem CID 54246680) has the molecular formula C41H32N2O2 and a molecular weight of 584.72 g/mol. Its IUPAC name is methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Namemethoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
PubChem CID54246680
Molecular FormulaC41H32N2O2
Molecular Weight584.72 g/mol
Exact Mass584.25
IUPAC Namemethoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
SMILESCCOC.O=C1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2nc3ccccc3n21
InChIInChI=1S/C38H24N2O.C3H8O/c41-38-36-34(28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)31(25-15-5-1-6-16-25)33(27-19-9-3-10-20-27)35(36)37-39-29-23-13-14-24-30(29)40(37)38;1-3-4-2/h1-24H;3H2,1-2H3
InChIKeyQTTDUCWFAVNJRI-UHFFFAOYSA-N
XLogP10.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-tert-butyl-1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one
CID 91160153
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248120
3-phenylpyrrolo[1,2-a]benzimidazol-1-one
CID 23660962
11-oxo-2,3,4,9-tetraphenylisoindolo[2,1-a]benzimidazole-1-carbonyl chloride
CID 54214601
1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
CID 174005103
CID 174005103
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-ethyl-2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 171405751
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320

Frequently Asked Questions

What is the IUPAC name of methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one (CID 54246680) is methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one is CCOC.O=C1c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2nc3ccccc3n21.
What is the InChIKey of methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is QTTDUCWFAVNJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2O.C3H8O/c41-38-36-34(28-21-11-4-12-22-28)32(26-17-7-2-8-18-26)31(25-15-5-1-6-16-25)33(27-19-9-3-10-20-27)35(36)37-39-29-23-13-14-24-30(29)40(37)38;1-3-4-2/h1-24H;3H2,1-2H3.
What are the key properties of methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one?
methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 584.72 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1,2,3,4-tetraphenylisoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 54246680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).