7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

C30H31F3N4O — CID 139892798

About 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (PubChem CID 139892798) has the molecular formula C30H31F3N4O and a molecular weight of 520.60 g/mol. Its IUPAC name is 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.

Molecular Properties

• Compound Name: 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
• PubChem CID: 139892798
• Molecular Formula: C30H31F3N4O
• Molecular Weight: 520.60 g/mol
• Exact Mass: 520.24
• IUPAC Name: 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
• SMILES: CCCc1cc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c2n1Cc1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C30H31F3N4O/c1-7-8-23-15-25-20(5)34-28-27(26-18(3)13-17(2)14-19(26)4)21(6)35-37(28)29(25)36(23)16-22-9-11-24(12-10-22)38-30(31,32)33/h9-15H,7-8,16H2,1-6H3
• InChIKey: FHONPBZDNDXPOE-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.60
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?

The IUPAC name of 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (CID 139892798) is 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.

What is the SMILES notation for 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?

The canonical SMILES for 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is CCCc1cc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c2n1Cc1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?

The InChIKey is FHONPBZDNDXPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O/c1-7-8-23-15-25-20(5)34-28-27(26-18(3)13-17(2)14-19(26)4)21(6)35-37(28)29(25)36(23)16-22-9-11-24(12-10-22)38-30(31,32)33/h9-15H,7-8,16H2,1-6H3.

What are the key properties of 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?

7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene has a molecular weight of 520.60 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7,11-dimethyl-4-propyl-3-[[4-(trifluoromethoxy)phenyl]methyl]-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is sourced from PubChem (CID 139892798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).