(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione

C25H20N6O6 — CID 71553118

IUPAC(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCC1=NN(c2ccccc2)C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N[C@H]2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H20N6O6/c1-15-25(23(32)29(28-15)18-5-3-2-4-6-18)21(16-7-11-19(12-8-16)30(34)35)26-24(33)27-22(25)17-9-13-20(14-10-17)31(36)37/h2-14,21-22H,1H3,(H2,26,27,33)/t21-,22+,25?
InChIKeySZFGGXMFZAHCCR-OFFJZUQKSA-N
MW500.47 g/mol
LogP4.01
Rot. Bonds5

About (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione

(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione (PubChem CID 71553118) has the molecular formula C25H20N6O6 and a molecular weight of 500.47 g/mol. Its IUPAC name is (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione.

Molecular Properties

Compound Name(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione
PubChem CID71553118
Molecular FormulaC25H20N6O6
Molecular Weight500.47 g/mol
Exact Mass500.14
IUPAC Name(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione
SMILESCC1=NN(c2ccccc2)C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N[C@H]2c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C25H20N6O6/c1-15-25(23(32)29(28-15)18-5-3-2-4-6-18)21(16-7-11-19(12-8-16)30(34)35)26-24(33)27-22(25)17-9-13-20(14-10-17)31(36)37/h2-14,21-22H,1H3,(H2,26,27,33)/t21-,22+,25?
InChIKeySZFGGXMFZAHCCR-OFFJZUQKSA-N
XLogP4.01
TPSA160.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.47
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl (5R,6R,9S)-1-methyl-6-(4-nitrophenyl)-4-oxo-3,9-diphenyl-2,3,7-triazaspiro[4.4]non-1-ene-8,8-dicarboxylate
CID 132584979
(6S,10S)-6,10-bis(4-methoxyphenyl)-1-methyl-3-phenyl-8-sulfanylidene-2,3,7,9-tetrazaspiro[4.5]dec-1-en-4-one
CID 139213709
5-methyl-4,4-dinitro-2-(4-nitrophenyl)pyrazol-3-one
CID 15863706
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
(6R,12S)-8-methyl-6,10,12-triphenyl-3-oxa-9,10,13-triazadispiro[4.1.47.25]tridec-8-ene-4,11-dione
CID 177479430
4-[1-(4-fluorophenyl)-2-nitroethyl]-4,5-dimethyl-2-phenylpyrazol-3-one
CID 101496048
(5S,6R)-1,7-dimethyl-3,9-diphenyl-11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,7-diene-4,10-dione
CID 27234921
1,3,3'-trimethyl-4',6'-bis(4-nitrophenyl)spiro[1,3-diazinane-5,5'-6,7-dihydro-4H-[1,2]oxazolo[5,4-b]pyridine]-2,4,6-trione
CID 139236480
4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
4-(3-ethyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-5-methyl-4-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-phenylpyrazol-3-one
CID 43835440

Frequently Asked Questions

What is the IUPAC name of (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione?
The IUPAC name of (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione (CID 71553118) is (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione.
What is the SMILES notation for (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione?
The canonical SMILES for (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione is CC1=NN(c2ccccc2)C(=O)C12[C@@H](c1ccc([N+](=O)[O-])cc1)NC(=O)N[C@H]2c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione?
The InChIKey is SZFGGXMFZAHCCR-OFFJZUQKSA-N. The full InChI is InChI=1S/C25H20N6O6/c1-15-25(23(32)29(28-15)18-5-3-2-4-6-18)21(16-7-11-19(12-8-16)30(34)35)26-24(33)27-22(25)17-9-13-20(14-10-17)31(36)37/h2-14,21-22H,1H3,(H2,26,27,33)/t21-,22+,25?.
What are the key properties of (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione?
(6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione has a molecular weight of 500.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10S)-1-methyl-6,10-bis(4-nitrophenyl)-3-phenyl-2,3,7,9-tetrazaspiro[4.5]dec-1-ene-4,8-dione is sourced from PubChem (CID 71553118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).