12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one

C24H22N2O2 — CID 90254236

IUPAC12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
SMILESCC1(C)OC(C)(C)c2c1c(=O)nc1c3ccccc3c(-c3ccccc3)cn21
InChIInChI=1S/C24H22N2O2/c1-23(2)19-20(24(3,4)28-23)26-14-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)21(26)25-22(19)27/h5-14H,1-4H3
InChIKeyGJUWTCSWLJKWCY-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.02
Rot. Bonds1

About 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one

12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one (PubChem CID 90254236) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one.

Molecular Properties

Compound Name12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
PubChem CID90254236
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one
SMILESCC1(C)OC(C)(C)c2c1c(=O)nc1c3ccccc3c(-c3ccccc3)cn21
InChIInChI=1S/C24H22N2O2/c1-23(2)19-20(24(3,4)28-23)26-14-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)21(26)25-22(19)27/h5-14H,1-4H3
InChIKeyGJUWTCSWLJKWCY-UHFFFAOYSA-N
XLogP5.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one with MolForge

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Related Compounds

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CID 140838735
7-phenylisoquinolino[2,1-a]quinazolin-6-one
CID 90245172
(16R)-1,5,19,19-tetramethyl-3,13-diazapentacyclo[14.2.1.02,15.03,12.06,11]nonadeca-2(15),4,6,8,10,12-hexaen-14-one
CID 90254148
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,12-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),2,4,6,8,10,14,16,18,20-decaen-13-one
CID 171606286
5-[2-[3,5-bis[2-(12,12,14,14-tetramethyl-16-oxo-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,8,11(15)-hexaen-5-yl)phenyl]phenyl]phenyl]-12,12,14,14-tetramethyl-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2(7),3,5,8,11(15)-hexaen-16-one;methane
CID 157428954
3,3,5,5-tetramethyl-1,14-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-2(6),7,9,11,13,16-hexaen-15-one
CID 90254227
2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
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6-phenylimidazo[2,1-a]isoquinoline
CID 58517625
4-phenyl-3-(3-triphenylen-2-ylphenyl)pyrimido[1,2-f]phenanthridin-2-one
CID 171448112
17,19-diphenyl-14,16,22-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(22),2,4,6,8,10,12,15(20),16,18-decaen-21-one
CID 171448195
2-[4-[4-[4-(4-dimethylphosphorylphenyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146505901
5-phenylindeno[1,2-c]isoquinolin-11-one
CID 154625535

Frequently Asked Questions

What is the IUPAC name of 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The IUPAC name of 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one (CID 90254236) is 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one.
What is the SMILES notation for 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The canonical SMILES for 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one is CC1(C)OC(C)(C)c2c1c(=O)nc1c3ccccc3c(-c3ccccc3)cn21.
What is the InChIKey of 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
The InChIKey is GJUWTCSWLJKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-23(2)19-20(24(3,4)28-23)26-14-18(15-10-6-5-7-11-15)16-12-8-9-13-17(16)21(26)25-22(19)27/h5-14H,1-4H3.
What are the key properties of 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one?
12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one has a molecular weight of 370.45 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,14,14-tetramethyl-8-phenyl-13-oxa-10,17-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,11(15)-hexaen-16-one is sourced from PubChem (CID 90254236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).