10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

C24H25N3O2 — CID 13166425

IUPAC10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCn1c(=O)n2n(c1=O)C(C)(C)C1C(=C(c3ccccc3)c3ccccc31)C2(C)C
InChIInChI=1S/C24H25N3O2/c1-23(2)19-17-14-10-9-13-16(17)18(15-11-7-6-8-12-15)20(19)24(3,4)27-22(29)25(5)21(28)26(23)27/h6-14,19H,1-5H3
InChIKeyURBPCRXZXMARCY-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.43
Rot. Bonds1

About 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (PubChem CID 13166425) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.

Molecular Properties

Compound Name10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
PubChem CID13166425
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCn1c(=O)n2n(c1=O)C(C)(C)C1C(=C(c3ccccc3)c3ccccc31)C2(C)C
InChIInChI=1S/C24H25N3O2/c1-23(2)19-17-14-10-9-13-16(17)18(15-11-7-6-8-12-15)20(19)24(3,4)27-22(29)25(5)21(28)26(23)27/h6-14,19H,1-5H3
InChIKeyURBPCRXZXMARCY-UHFFFAOYSA-N
XLogP3.43
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione with MolForge

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Related Compounds

5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-
CID 429409
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2-methyl-5,8-diphenyl-
CID 563506
2,4,6-Triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-methyl-1,7-diphenyl-
CID 616067
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
CID 13166423
2,2,6,6,9-Pentamethyl-4,4-diphenyl-1,7,9-triazatricyclo[5.3.0.03,5]dec-3(5)-ene-8,10-dione
CID 13166424
5-Acetyl-2-(2,2-diphenylethyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
CID 18722093
5-Acetyl-2-(2,2-diphenylethyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;ethane
CID 90908640
(1R,7S,8R)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 10038827
(1R,7S)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10378382
(1R,7S,8S)-4-methyl-8-phenyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
CID 10423323
(1R,8S)-1,8,11-trimethyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 10516110

Frequently Asked Questions

What is the IUPAC name of 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The IUPAC name of 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (CID 13166425) is 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.
What is the SMILES notation for 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The canonical SMILES for 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is Cn1c(=O)n2n(c1=O)C(C)(C)C1C(=C(c3ccccc3)c3ccccc31)C2(C)C.
What is the InChIKey of 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The InChIKey is URBPCRXZXMARCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-23(2)19-17-14-10-9-13-16(17)18(15-11-7-6-8-12-15)20(19)24(3,4)27-22(29)25(5)21(28)26(23)27/h6-14,19H,1-5H3.
What are the key properties of 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione has a molecular weight of 387.48 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,13,16,16-pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is sourced from PubChem (CID 13166425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).