3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone

C38H23N3O8 — CID 3096503

IUPAC—
SMILESO=C1c2ccccc2C(=O)C12C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C38H23N3O8/c42-33-27-10-4-5-11-28(27)34(43)37(33)31(22-14-18-25(19-15-22)40(46)47)38(35(44)29-12-6-7-13-30(29)36(38)45)39(24-8-2-1-3-9-24)32(37)23-16-20-26(21-17-23)41(48)49/h1-21,31-32H
InChIKeyVQQQAEBHUOQRJB-UHFFFAOYSA-N
MW649.62 g/mol
LogP6.73
Rot. Bonds5

About 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone

3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone (PubChem CID 3096503) has the molecular formula C38H23N3O8 and a molecular weight of 649.62 g/mol.

Molecular Properties

Compound Name3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone
PubChem CID3096503
Molecular FormulaC38H23N3O8
Molecular Weight649.62 g/mol
Exact Mass649.15
IUPAC Name—
SMILESO=C1c2ccccc2C(=O)C12C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C38H23N3O8/c42-33-27-10-4-5-11-28(27)34(43)37(33)31(22-14-18-25(19-15-22)40(46)47)38(35(44)29-12-6-7-13-30(29)36(38)45)39(24-8-2-1-3-9-24)32(37)23-16-20-26(21-17-23)41(48)49/h1-21,31-32H
InChIKeyVQQQAEBHUOQRJB-UHFFFAOYSA-N
XLogP6.73
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.62
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone?
The IUPAC name of 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone (CID 3096503) is not available.
What is the SMILES notation for 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone?
The canonical SMILES for 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone is O=C1c2ccccc2C(=O)C12C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1(C(=O)c3ccccc3C1=O)C2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone?
The InChIKey is VQQQAEBHUOQRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O8/c42-33-27-10-4-5-11-28(27)34(43)37(33)31(22-14-18-25(19-15-22)40(46)47)38(35(44)29-12-6-7-13-30(29)36(38)45)39(24-8-2-1-3-9-24)32(37)23-16-20-26(21-17-23)41(48)49/h1-21,31-32H.
What are the key properties of 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone?
3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone has a molecular weight of 649.62 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5'-Bis(4-nitrophenyl)-1'-phenyldispiro[indene-2,2'-pyrrolidine-4',2''-indene]-1,1'',3,3''-tetrone is sourced from PubChem (CID 3096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).