4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C28H26N4O — CID 4666880

IUPAC4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5c(C)[nH]c6ccccc56)cc4c3c2C)cc1
InChIInChI=1S/C28H26N4O/c1-16-27(23-8-6-7-9-24(23)29-16)20-14-25-28-19(4)32(21-10-12-22(33-5)13-11-21)18(3)26(28)17(2)30-31(25)15-20/h6-15,29H,1-5H3
InChIKeyJGKYWLXQRJTEQW-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.67
Rot. Bonds3

About 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 4666880) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID4666880
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCOc1ccc(-n2c(C)c3c(C)nn4cc(-c5c(C)[nH]c6ccccc56)cc4c3c2C)cc1
InChIInChI=1S/C28H26N4O/c1-16-27(23-8-6-7-9-24(23)29-16)20-14-25-28-19(4)32(21-10-12-22(33-5)13-11-21)18(3)26(28)17(2)30-31(25)15-20/h6-15,29H,1-5H3
InChIKeyJGKYWLXQRJTEQW-UHFFFAOYSA-N
XLogP6.67
TPSA47.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 4666880) is 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is COc1ccc(-n2c(C)c3c(C)nn4cc(-c5c(C)[nH]c6ccccc56)cc4c3c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is JGKYWLXQRJTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-16-27(23-8-6-7-9-24(23)29-16)20-14-25-28-19(4)32(21-10-12-22(33-5)13-11-21)18(3)26(28)17(2)30-31(25)15-20/h6-15,29H,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 434.54 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3,5,7-trimethyl-11-(2-methyl-1H-indol-3-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 4666880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).