2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione

C30H25NO3 — CID 138982800

IUPAC2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione
SMILESO=C1C2Cc3cc4c(cc3CC2C(=O)N1c1ccccc1)CC1(C4)C(=O)CCc2ccccc21
InChIInChI=1S/C30H25NO3/c32-27-11-10-18-6-4-5-9-26(18)30(27)16-21-12-19-14-24-25(15-20(19)13-22(21)17-30)29(34)31(28(24)33)23-7-2-1-3-8-23/h1-9,12-13,24-25H,10-11,14-17H2
InChIKeyPYBVVDJNNWRHDZ-UHFFFAOYSA-N
MW447.53 g/mol
LogP4.14
Rot. Bonds1

About 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione

2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione (PubChem CID 138982800) has the molecular formula C30H25NO3 and a molecular weight of 447.53 g/mol. Its IUPAC name is 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione.

Molecular Properties

Compound Name2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione
PubChem CID138982800
Molecular FormulaC30H25NO3
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC Name2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione
SMILESO=C1C2Cc3cc4c(cc3CC2C(=O)N1c1ccccc1)CC1(C4)C(=O)CCc2ccccc21
InChIInChI=1S/C30H25NO3/c32-27-11-10-18-6-4-5-9-26(18)30(27)16-21-12-19-14-24-25(15-20(19)13-22(21)17-30)29(34)31(28(24)33)23-7-2-1-3-8-23/h1-9,12-13,24-25H,10-11,14-17H2
InChIKeyPYBVVDJNNWRHDZ-UHFFFAOYSA-N
XLogP4.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione?
The IUPAC name of 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione (CID 138982800) is 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione.
What is the SMILES notation for 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione?
The canonical SMILES for 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione is O=C1C2Cc3cc4c(cc3CC2C(=O)N1c1ccccc1)CC1(C4)C(=O)CCc2ccccc21.
What is the InChIKey of 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione?
The InChIKey is PYBVVDJNNWRHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO3/c32-27-11-10-18-6-4-5-9-26(18)30(27)16-21-12-19-14-24-25(15-20(19)13-22(21)17-30)29(34)31(28(24)33)23-7-2-1-3-8-23/h1-9,12-13,24-25H,10-11,14-17H2.
What are the key properties of 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione?
2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione has a molecular weight of 447.53 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-phenylspiro[3,4-dihydronaphthalene-1,7'-3a,4,6,8,10,10a-hexahydroindeno[5,6-f]isoindole]-1',2,3'-trione is sourced from PubChem (CID 138982800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).