4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

C39H25N3O — CID 130417555

IUPAC4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21
InChIInChI=1S/C39H25N3O/c43-38-28-18-13-25-35(36(28)37-40-31-21-9-12-24-34(31)42(37)38)41-32-22-10-7-19-29(32)39(26-14-3-1-4-15-26,27-16-5-2-6-17-27)30-20-8-11-23-33(30)41/h1-25H
InChIKeyYHPMQZFWMGKLMU-UHFFFAOYSA-N
MW551.65 g/mol
LogP8.87
Rot. Bonds3

About 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one

4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (PubChem CID 130417555) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.

Molecular Properties

Compound Name4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
PubChem CID130417555
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
SMILESO=C1c2cccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21
InChIInChI=1S/C39H25N3O/c43-38-28-18-13-25-35(36(28)37-40-31-21-9-12-24-34(31)42(37)38)41-32-22-10-7-19-29(32)39(26-14-3-1-4-15-26,27-16-5-2-6-17-27)30-20-8-11-23-33(30)41/h1-25H
InChIKeyYHPMQZFWMGKLMU-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

2-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248032
1-(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248165
1,4-bis(9,9-dimethylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248103
1,4-bis(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248120
1-[10-(9,9-diphenylfluoren-1-yl)-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 155333714
3-(10-phenylphenazin-5-yl)isoindolo[2,3-a]benzimidazol-11-one
CID 121248025
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
14-[4-[6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
CID 146390263
11-[3-(5,6-dihydrophenanthridin-6-yl)phenyl]-8,8-diphenyl-15,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(22),2,4,6,9(14),10,12,16,18,20-decaene
CID 129310566
8'-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142607174
2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile
CID 132850576
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1-phenylbenzimidazole
CID 153208521

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The IUPAC name of 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one (CID 130417555) is 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one.
What is the SMILES notation for 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The canonical SMILES for 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is O=C1c2cccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2-c2nc3ccccc3n21.
What is the InChIKey of 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
The InChIKey is YHPMQZFWMGKLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c43-38-28-18-13-25-35(36(28)37-40-31-21-9-12-24-34(31)42(37)38)41-32-22-10-7-19-29(32)39(26-14-3-1-4-15-26,27-16-5-2-6-17-27)30-20-8-11-23-33(30)41/h1-25H.
What are the key properties of 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one?
4-(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 4-(9,9-diphenylacridin-10-yl)isoindolo[2,3-a]benzimidazol-11-one is sourced from PubChem (CID 130417555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).