10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

C26H34N4 — CID 22249838

IUPAC10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESCCC(CC)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C(C)C)c(C)nn3c21
InChIInChI=1S/C26H34N4/c1-9-20(10-2)29-12-11-21-18(7)27-25-24(19(8)28-30(25)26(21)29)23-17(6)13-16(5)14-22(23)15(3)4/h11-15,20H,9-10H2,1-8H3
InChIKeyWYEUYNJHRNVIKF-UHFFFAOYSA-N
MW402.59 g/mol
LogP7.07
Rot. Bonds5

About 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene

10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (PubChem CID 22249838) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.

Molecular Properties

Compound Name10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
PubChem CID22249838
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
SMILESCCC(CC)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C(C)C)c(C)nn3c21
InChIInChI=1S/C26H34N4/c1-9-20(10-2)29-12-11-21-18(7)27-25-24(19(8)28-30(25)26(21)29)23-17(6)13-16(5)14-22(23)15(3)4/h11-15,20H,9-10H2,1-8H3
InChIKeyWYEUYNJHRNVIKF-UHFFFAOYSA-N
XLogP7.07
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The IUPAC name of 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene (CID 22249838) is 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene.
What is the SMILES notation for 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The canonical SMILES for 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is CCC(CC)n1ccc2c(C)nc3c(-c4c(C)cc(C)cc4C(C)C)c(C)nn3c21.
What is the InChIKey of 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
The InChIKey is WYEUYNJHRNVIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1-9-20(10-2)29-12-11-21-18(7)27-25-24(19(8)28-30(25)26(21)29)23-17(6)13-16(5)14-22(23)15(3)4/h11-15,20H,9-10H2,1-8H3.
What are the key properties of 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene?
10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene has a molecular weight of 402.59 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dimethyl-6-propan-2-ylphenyl)-7,11-dimethyl-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene is sourced from PubChem (CID 22249838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).