(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione

C20H17N5O3 — CID 11793862

IUPAC(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
SMILESCN1C(=O)[C@]2(c3ccccc3)N=C(c3ccccc3)[C@H]1n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C20H17N5O3/c1-22-16-15(13-9-5-3-6-10-13)21-20(17(22)26,14-11-7-4-8-12-14)25-19(28)23(2)18(27)24(16)25/h3-12,16H,1-2H3/t16-,20-/m1/s1
InChIKeyVPGXFRRXGUNUQB-OXQOHEQNSA-N
MW375.39 g/mol
LogP0.52
Rot. Bonds2

About (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione

(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione (PubChem CID 11793862) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione.

Molecular Properties

Compound Name(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
PubChem CID11793862
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione
SMILESCN1C(=O)[C@]2(c3ccccc3)N=C(c3ccccc3)[C@H]1n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C20H17N5O3/c1-22-16-15(13-9-5-3-6-10-13)21-20(17(22)26,14-11-7-4-8-12-14)25-19(28)23(2)18(27)24(16)25/h3-12,16H,1-2H3/t16-,20-/m1/s1
InChIKeyVPGXFRRXGUNUQB-OXQOHEQNSA-N
XLogP0.52
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione with MolForge

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Related Compounds

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CID 90487274
5-methyl-11,12,13-triphenyl-3,5,7-triazahexacyclo[6.5.0.02,10.03,7.09,12.011,13]tridecane-4,6-dione
CID 90487273
(1R,7R,8R,11S)-1,4,9-trimethyl-10,11-diphenyl-2,4,6-triazatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 124911267
5,12-dimethyl-2,2-diphenyl-3,5,7,10,12,14-hexazapentacyclo[7.5.2.01,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone
CID 615111
2,2,8,8,11-pentamethyl-6,6-diphenyl-1,4,5,9,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
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1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
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4-bromo-2-methyl-4,5-diphenylpyrazol-3-one
CID 118538432
1,5-dimethyl-5-phenyl-3-trimethylsilylimidazolidine-2,4-dione
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(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
(1S,11S)-1,11-bis(4-methylphenyl)-2,4,8,10-tetraphenyl-3,4,8,9-tetrazadispiro[4.1.47.35]tetradeca-2,9-dien-6-one
CID 102376411
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Frequently Asked Questions

What is the IUPAC name of (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione?
The IUPAC name of (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione (CID 11793862) is (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione.
What is the SMILES notation for (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione?
The canonical SMILES for (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione is CN1C(=O)[C@]2(c3ccccc3)N=C(c3ccccc3)[C@H]1n1c(=O)n(C)c(=O)n12.
What is the InChIKey of (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione?
The InChIKey is VPGXFRRXGUNUQB-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-22-16-15(13-9-5-3-6-10-13)21-20(17(22)26,14-11-7-4-8-12-14)25-19(28)23(2)18(27)24(16)25/h3-12,16H,1-2H3/t16-,20-/m1/s1.
What are the key properties of (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione?
(1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione has a molecular weight of 375.39 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7R)-4,8-dimethyl-1,11-diphenyl-2,4,6,8,10-pentazatricyclo[5.2.2.02,6]undec-10-ene-3,5,9-trione is sourced from PubChem (CID 11793862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).