2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

C39H25N3O — CID 121248032

IUPAC2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc2-c2nc3ccccc3n21
InChIInChI=1S/C39H25N3O/c43-38-30-25-28(23-24-29(30)37-40-33-19-9-12-22-36(33)42(37)38)41-34-20-10-7-17-31(34)39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)32-18-8-11-21-35(32)41/h1-25H
InChIKeyIAKSMANDTPCWED-UHFFFAOYSA-N
MW551.65 g/mol
LogP8.87
Rot. Bonds3

About 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (PubChem CID 121248032) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
PubChem CID121248032
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc2-c2nc3ccccc3n21
InChIInChI=1S/C39H25N3O/c43-38-30-25-28(23-24-29(30)37-40-33-19-9-12-22-36(33)42(37)38)41-34-20-10-7-17-31(34)39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)32-18-8-11-21-35(32)41/h1-25H
InChIKeyIAKSMANDTPCWED-UHFFFAOYSA-N
XLogP8.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025
4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 130417555
2-carbazol-9-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenothiazin-10-ylisoindolo[2,3-a]benzimidazol-11-one;2-phenoxazin-10-ylisoindolo[2,3-a]benzimidazol-11-one
CID 158739311
5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 130417550
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248165
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
2,3-bis(9-oxoacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248023
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(10-ethylphenazin-5-yl)isoindole-1,3-dione;2-[2,6-di(propan-2-yl)phenyl]-5-(9-oxoacridin-10-yl)isoindole-1,3-dione
CID 161497521
2'-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-7'-[4-(1-phenylbenzimidazol-2-yl)phenyl]spiro[acridine-9,9'-fluorene]
CID 118688217
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248120

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (CID 121248032) is 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is O=C1c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc2-c2nc3ccccc3n21.
What is the InChIKey of 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is IAKSMANDTPCWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c43-38-30-25-28(23-24-29(30)37-40-33-19-9-12-22-36(33)42(37)38)41-34-20-10-7-17-31(34)39(26-13-3-1-4-14-26,27-15-5-2-6-16-27)32-18-8-11-21-35(32)41/h1-25H.
What are the key properties of 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one has a molecular weight of 551.65 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 121248032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).