2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione

C35H26N2O2 — CID 130395517

IUPAC2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccc(N3C(=O)c4ccc(-c5ccccc5)cc4C3=O)cc2)c2ccccc21
InChIInChI=1S/C35H26N2O2/c1-35(2)29-12-6-8-14-31(29)36(32-15-9-7-13-30(32)35)25-17-19-26(20-18-25)37-33(38)27-21-16-24(22-28(27)34(37)39)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeyXWVIMAVBFFEJFP-UHFFFAOYSA-N
MW506.61 g/mol
LogP8.26
Rot. Bonds3

About 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione (PubChem CID 130395517) has the molecular formula C35H26N2O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
PubChem CID130395517
Molecular FormulaC35H26N2O2
Molecular Weight506.61 g/mol
Exact Mass506.20
IUPAC Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
SMILESCC1(C)c2ccccc2N(c2ccc(N3C(=O)c4ccc(-c5ccccc5)cc4C3=O)cc2)c2ccccc21
InChIInChI=1S/C35H26N2O2/c1-35(2)29-12-6-8-14-31(29)36(32-15-9-7-13-30(32)35)25-17-19-26(20-18-25)37-33(38)27-21-16-24(22-28(27)34(37)39)23-10-4-3-5-11-23/h3-22H,1-2H3
InChIKeyXWVIMAVBFFEJFP-UHFFFAOYSA-N
XLogP8.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione?
The IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione (CID 130395517) is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione.
What is the SMILES notation for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione?
The canonical SMILES for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione is CC1(C)c2ccccc2N(c2ccc(N3C(=O)c4ccc(-c5ccccc5)cc4C3=O)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione?
The InChIKey is XWVIMAVBFFEJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O2/c1-35(2)29-12-6-8-14-31(29)36(32-15-9-7-13-30(32)35)25-17-19-26(20-18-25)37-33(38)27-21-16-24(22-28(27)34(37)39)23-10-4-3-5-11-23/h3-22H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione?
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione has a molecular weight of 506.61 g/mol, XLogP of 8.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione is sourced from PubChem (CID 130395517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).