6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one

C23H25N3O2 — CID 162407541

IUPAC6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one
SMILESCC1(C)CC(c2ccccc2)CC(c2ccccc2)n2cc(nn2)COC1=O
InChIInChI=1S/C23H25N3O2/c1-23(2)14-19(17-9-5-3-6-10-17)13-21(18-11-7-4-8-12-18)26-15-20(24-25-26)16-28-22(23)27/h3-12,15,19,21H,13-14,16H2,1-2H3
InChIKeyPMPJIWJULYAZNK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.51
Rot. Bonds2

About 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one

6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one (PubChem CID 162407541) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one.

Molecular Properties

Compound Name6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one
PubChem CID162407541
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one
SMILESCC1(C)CC(c2ccccc2)CC(c2ccccc2)n2cc(nn2)COC1=O
InChIInChI=1S/C23H25N3O2/c1-23(2)14-19(17-9-5-3-6-10-17)13-21(18-11-7-4-8-12-18)26-15-20(24-25-26)16-28-22(23)27/h3-12,15,19,21H,13-14,16H2,1-2H3
InChIKeyPMPJIWJULYAZNK-UHFFFAOYSA-N
XLogP4.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one with MolForge

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Related Compounds

(1-phenyl-1H-1,2,3-triazol-4-yl)methyl 4-methylbenzenecarboxylate
CID 1478608
(1-Benzyltriazol-4-yl)methyl benzoate
CID 16745949
[1-(2-iodophenyl)triazol-4-yl]methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 72206365
(1-benzyltriazol-4-yl)methyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
CID 127033442
(1-benzyltriazol-4-yl)methyl (E)-5-[(4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-formylpent-3-enoate
CID 145955293
[1-(3-phenylpropyl)triazol-4-yl]methyl (1R,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 145981882
[1-(4-Chlorophenyl)triazol-4-yl]methyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 171511948
[1-[(4-Fluorophenyl)methyl]triazol-4-yl]methyl benzoate
CID 53342585
Bis[(1-benzyltriazol-4-yl)methyl] pentanedioate
CID 70686082
Bis[(1-benzyltriazol-4-yl)methyl] butanedioate
CID 70688214
Bis[[1-(2-phenylethyl)triazol-4-yl]methyl] hexanedioate
CID 70692406
Bis[(1-benzyltriazol-4-yl)methyl] hexanedioate
CID 70694453

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one?
The IUPAC name of 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one (CID 162407541) is 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one.
What is the SMILES notation for 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one?
The canonical SMILES for 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one is CC1(C)CC(c2ccccc2)CC(c2ccccc2)n2cc(nn2)COC1=O.
What is the InChIKey of 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one?
The InChIKey is PMPJIWJULYAZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2)14-19(17-9-5-3-6-10-17)13-21(18-11-7-4-8-12-18)26-15-20(24-25-26)16-28-22(23)27/h3-12,15,19,21H,13-14,16H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one?
6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one has a molecular weight of 375.47 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,4-diphenyl-8-oxa-1,11,12-triazabicyclo[8.2.1]trideca-10(13),11-dien-7-one is sourced from PubChem (CID 162407541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).