(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C24H21NO2 — CID 7298165

IUPAC(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c26-23-20-14-13-18(16-7-2-1-3-8-16)15-21(20)24(27)25(23)22-12-6-10-17-9-4-5-11-19(17)22/h1-12,18,20-21H,13-15H2/t18-,20+,21+/m0/s1
InChIKeyFMPOWQSUNMGUMG-CEWLAPEOSA-N
MW355.44 g/mol
LogP4.91
Rot. Bonds2

About (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 7298165) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID7298165
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c26-23-20-14-13-18(16-7-2-1-3-8-16)15-21(20)24(27)25(23)22-12-6-10-17-9-4-5-11-19(17)22/h1-12,18,20-21H,13-15H2/t18-,20+,21+/m0/s1
InChIKeyFMPOWQSUNMGUMG-CEWLAPEOSA-N
XLogP4.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5R,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7298164
(3aR,5S,6S,7aR)-5,6-dibromo-2-naphthalen-1-yl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98172632
(3aS,5R,7aR)-2-(2-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11894363
(3aR,5S,7aR)-2-(2,6-diethylphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124776307
2-[(3aR,5R,7aR)-1,3-dioxo-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-naphthalen-1-ylacetamide
CID 7480936
2-(4-iodophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19644855
2-(4-hydroxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 59164706
(3aS,5R,7aR)-2-(4-chlorophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100807704
(3aR,5R,7aR)-2-(4-fluorophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92539798
(3aR,5R,7aS)-2-(4-bromophenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7298155
(3aS,5R,7aR)-2-(4-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92543020
2-(4-methoxyphenyl)-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3344966

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 7298165) is (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cccc2ccccc12.
What is the InChIKey of (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is FMPOWQSUNMGUMG-CEWLAPEOSA-N. The full InChI is InChI=1S/C24H21NO2/c26-23-20-14-13-18(16-7-2-1-3-8-16)15-21(20)24(27)25(23)22-12-6-10-17-9-4-5-11-19(17)22/h1-12,18,20-21H,13-15H2/t18-,20+,21+/m0/s1.
What are the key properties of (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
(3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 355.44 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-2-naphthalen-1-yl-5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 7298165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).