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

C24H23N5 — CID 20898435

IUPAC10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1
InChIInChI=1S/C24H23N5/c1-14-6-9-19(10-7-14)22-26-24-21-17(4)18(5)29(23(21)25-13-28(24)27-22)20-11-8-15(2)12-16(20)3/h6-13H,1-5H3
InChIKeyJFBOTQWFJIHKEK-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.28
Rot. Bonds2

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

10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20898435) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20898435
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1
InChIInChI=1S/C24H23N5/c1-14-6-9-19(10-7-14)22-26-24-21-17(4)18(5)29(23(21)25-13-28(24)27-22)20-11-8-15(2)12-16(20)3/h6-13H,1-5H3
InChIKeyJFBOTQWFJIHKEK-UHFFFAOYSA-N
XLogP5.28
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20898435) is 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(-c2nc3c4c(C)c(C)n(-c5ccc(C)cc5C)c4ncn3n2)cc1.
What is the InChIKey of 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is JFBOTQWFJIHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-14-6-9-19(10-7-14)22-26-24-21-17(4)18(5)29(23(21)25-13-28(24)27-22)20-11-8-15(2)12-16(20)3/h6-13H,1-5H3.
What are the key properties of 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 381.48 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(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 20898435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).