2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

C25H17NO3 — CID 170551604

IUPAC2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(-c4ccccc4)cc32)C1=O
InChIInChI=1S/C25H17NO3/c1-26-23(28)19-9-5-6-10-20(19)25(24(26)29)14-13-22(27)18-12-11-17(15-21(18)25)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyYCCWVUKZYRMGSG-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.00
Rot. Bonds1

About 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione

2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (PubChem CID 170551604) has the molecular formula C25H17NO3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.

Molecular Properties

Compound Name2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
PubChem CID170551604
Molecular FormulaC25H17NO3
Molecular Weight379.42 g/mol
Exact Mass379.12
IUPAC Name2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
SMILESCN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(-c4ccccc4)cc32)C1=O
InChIInChI=1S/C25H17NO3/c1-26-23(28)19-9-5-6-10-20(19)25(24(26)29)14-13-22(27)18-12-11-17(15-21(18)25)16-7-3-2-4-8-16/h2-15H,1H3
InChIKeyYCCWVUKZYRMGSG-UHFFFAOYSA-N
XLogP4.00
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.00
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

6'-fluoro-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551613
6'-methoxy-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551612
6'-ethyl-2-methylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551609
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
4-methyl-4,6-diphenyl-2-propan-2-yl-3H-isoquinolin-1-one
CID 102572936
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenylindeno[2,1-a]indene
CID 123805916
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The IUPAC name of 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione (CID 170551604) is 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione.
What is the SMILES notation for 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The canonical SMILES for 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is CN1C(=O)c2ccccc2C2(C=CC(=O)c3ccc(-c4ccccc4)cc32)C1=O.
What is the InChIKey of 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
The InChIKey is YCCWVUKZYRMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3/c1-26-23(28)19-9-5-6-10-20(19)25(24(26)29)14-13-22(27)18-12-11-17(15-21(18)25)16-7-3-2-4-8-16/h2-15H,1H3.
What are the key properties of 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione?
2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione has a molecular weight of 379.42 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione is sourced from PubChem (CID 170551604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).