8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene

C18H14N6 — CID 117058463

IUPAC8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
SMILESCc1ccc(-c2nnc3nc4c(nn23)c2ccccc2n4C)cc1
InChIInChI=1S/C18H14N6/c1-11-7-9-12(10-8-11)16-20-21-18-19-17-15(22-24(16)18)13-5-3-4-6-14(13)23(17)2/h3-10H,1-2H3
InChIKeyXCURNKKASSZWIK-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.14
Rot. Bonds1

About 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene

8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene (PubChem CID 117058463) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene.

Molecular Properties

Compound Name8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
PubChem CID117058463
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene
SMILESCc1ccc(-c2nnc3nc4c(nn23)c2ccccc2n4C)cc1
InChIInChI=1S/C18H14N6/c1-11-7-9-12(10-8-11)16-20-21-18-19-17-15(22-24(16)18)13-5-3-4-6-14(13)23(17)2/h3-10H,1-2H3
InChIKeyXCURNKKASSZWIK-UHFFFAOYSA-N
XLogP3.14
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene 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 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene?
The IUPAC name of 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene (CID 117058463) is 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene.
What is the SMILES notation for 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene?
The canonical SMILES for 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene is Cc1ccc(-c2nnc3nc4c(nn23)c2ccccc2n4C)cc1.
What is the InChIKey of 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene?
The InChIKey is XCURNKKASSZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-11-7-9-12(10-8-11)16-20-21-18-19-17-15(22-24(16)18)13-5-3-4-6-14(13)23(17)2/h3-10H,1-2H3.
What are the key properties of 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene?
8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene has a molecular weight of 314.35 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-14-(4-methylphenyl)-8,10,12,13,15,16-hexazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,13-heptaene is sourced from PubChem (CID 117058463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).