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

C24H25N5O2 — CID 13166423

IUPAC2,2,8,8,11-pentamethyl-6,6-diphenyl-1,4,5,9,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)C(C)(C)C1=C(N=NC1(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C24H25N5O2/c1-22(2)18-19(23(3,4)29-21(31)27(5)20(30)28(22)29)25-26-24(18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3
InChIKeyURHFZEHGFPACHJ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.50
Rot. Bonds2

About 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

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 (PubChem CID 13166423) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,8,8,11-pentamethyl-6,6-diphenyl-1,4,5,9,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
PubChem CID13166423
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2,2,8,8,11-pentamethyl-6,6-diphenyl-1,4,5,9,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
SMILESCn1c(=O)n2n(c1=O)C(C)(C)C1=C(N=NC1(c1ccccc1)c1ccccc1)C2(C)C
InChIInChI=1S/C24H25N5O2/c1-22(2)18-19(23(3,4)29-21(31)27(5)20(30)28(22)29)25-26-24(18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3
InChIKeyURHFZEHGFPACHJ-UHFFFAOYSA-N
XLogP3.50
TPSA73.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

2,4,6-Triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-methyl-1,7-diphenyl-
CID 616067
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
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
(1R,7S)-4,10,10-trimethyl-1,7-diphenyl-2,4,6,8,9-pentazatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 9975846
N-cyclohexyl-N-ethyl-5-oxo-4-(1-phenylcyclopropyl)tetrazole-1-carboxamide
CID 10132879
(1S,7R,10S,11R)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10619352
(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 10833160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(=O)n2n(c1=O)C(C)(C)C1=C(N=NC1(c1ccccc1)c1ccccc1)C2(C)C.
What is the InChIKey of 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?
The InChIKey is URHFZEHGFPACHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-22(2)18-19(23(3,4)29-21(31)27(5)20(30)28(22)29)25-26-24(18,16-12-8-6-9-13-16)17-14-10-7-11-15-17/h6-15H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 415.50 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 13166423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).