7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride

C30H35ClN4 — CID 22249750

About 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride

7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride (PubChem CID 22249750) has the molecular formula C30H35ClN4 and a molecular weight of 487.09 g/mol. Its IUPAC name is 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride.

Molecular Properties

• Compound Name: 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride
• PubChem CID: 22249750
• Molecular Formula: C30H35ClN4
• Molecular Weight: 487.09 g/mol
• Exact Mass: 486.26
• IUPAC Name: 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride
• SMILES: CCCC(Cc1ccccc1)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c21.Cl
• InChI: InChI=1S/C30H34N4.ClH/c1-7-11-25(18-24-12-9-8-10-13-24)33-15-14-26-22(5)31-29-28(23(6)32-34(29)30(26)33)27-20(3)16-19(2)17-21(27)4;/h8-10,12-17,25H,7,11,18H2,1-6H3;1H
• InChIKey: WGCOTZJEIOGURV-UHFFFAOYSA-N
• XLogP: 7.90
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.09
LogP ≤ 5	7.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride?

The IUPAC name of 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride (CID 22249750) is 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride.

What is the SMILES notation for 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride?

The canonical SMILES for 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride is CCCC(Cc1ccccc1)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C)c(C)nn3c21.Cl.

What is the InChIKey of 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride?

The InChIKey is WGCOTZJEIOGURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4.ClH/c1-7-11-25(18-24-12-9-8-10-13-24)33-15-14-26-22(5)31-29-28(23(6)32-34(29)30(26)33)27-20(3)16-19(2)17-21(27)4;/h8-10,12-17,25H,7,11,18H2,1-6H3;1H.

What are the key properties of 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride?

7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride has a molecular weight of 487.09 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7,11-dimethyl-3-(1-phenylpentan-2-yl)-10-(2,4,6-trimethylphenyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene;hydrochloride is sourced from PubChem (CID 22249750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).