4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C23H21N5O — CID 20898229

IUPAC4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)cc4)c3ncn2n1
InChIInChI=1S/C23H21N5O/c1-14-9-11-17(12-10-14)28-16(3)15(2)20-22(28)24-13-27-23(20)25-21(26-27)18-7-5-6-8-19(18)29-4/h5-13H,1-4H3
InChIKeyHENLJKCLHOQODL-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.67
Rot. Bonds3

About 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898229) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898229
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)cc4)c3ncn2n1
InChIInChI=1S/C23H21N5O/c1-14-9-11-17(12-10-14)28-16(3)15(2)20-22(28)24-13-27-23(20)25-21(26-27)18-7-5-6-8-19(18)29-4/h5-13H,1-4H3
InChIKeyHENLJKCLHOQODL-UHFFFAOYSA-N
XLogP4.67
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898229) is 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccc(C)cc4)c3ncn2n1.
What is the InChIKey of 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is HENLJKCLHOQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-14-9-11-17(12-10-14)28-16(3)15(2)20-22(28)24-13-27-23(20)25-21(26-27)18-7-5-6-8-19(18)29-4/h5-13H,1-4H3.
What are the key properties of 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 383.46 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-11,12-dimethyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20898229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).