(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C30H23NO2 — CID 98114210

IUPAC(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)(c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1
InChIInChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,30-/m1/s1
InChIKeyMHIKHQCDLHOZJB-PDDLMNHVSA-N
MW429.52 g/mol
LogP5.42
Rot. Bonds4

About (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 98114210) has the molecular formula C30H23NO2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID98114210
Molecular FormulaC30H23NO2
Molecular Weight429.52 g/mol
Exact Mass429.17
IUPAC Name(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)(c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1
InChIInChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,30-/m1/s1
InChIKeyMHIKHQCDLHOZJB-PDDLMNHVSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Related Compounds

(1S,5R)-3-(4-fluorophenyl)-1-methyl-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 98600968
1-methyl-3-(4-nitrophenyl)-6,6-diphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 2928138
1,4,6-trimethyl-9-(4-methylphenyl)-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
CID 67890998
(15R,19S)-17-(4-methylphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 1375546
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
(3aR,4R,7S,7aS)-2-[4-(4-methylphenoxy)phenyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126091167
3,4-bis(diphenylphosphoryl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 170695122
methyl (3S,4R)-5,5-dimethyl-1-(4-methylphenyl)-2,6-dioxo-4-phenylpiperidine-3-carboxylate
CID 2003412
(1R,2R,6R,7R)-4-(4-iodophenyl)-8,9-bis(4-methylphenyl)-1,7-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
CID 126010003
3-(3,5-dichlorophenyl)-1-methyl-6-phenyl-6-pyridin-4-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 137462392
(1S,5S,6S)-3-(3,5-dichlorophenyl)-1-methyl-6-phenyl-6-pyridin-4-yl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 129087342
(1S,10S,11S)-11-methyl-13-(4-methylphenyl)-3-oxa-13-azatetracyclo[8.4.0.01,11.04,9]tetradeca-4,6,8-triene-2,12,14-trione
CID 11551711

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 98114210) is (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is Cc1ccc(N2C(=O)[C@@H]3C(c4ccccc4)(c4ccccc4)[C@@]3(c3ccccc3)C2=O)cc1.
What is the InChIKey of (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is MHIKHQCDLHOZJB-PDDLMNHVSA-N. The full InChI is InChI=1S/C30H23NO2/c1-21-17-19-25(20-18-21)31-27(32)26-29(22-11-5-2-6-12-22,23-13-7-3-8-14-23)30(26,28(31)33)24-15-9-4-10-16-24/h2-20,26H,1H3/t26-,30-/m1/s1.
What are the key properties of (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
(1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 429.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-3-(4-methylphenyl)-1,6,6-triphenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 98114210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).