5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C24H20N2 — CID 155039973

IUPAC5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1ccc(-c2cc3c(cn2)c2cc4ccc(C)cc4cc2n3C)cc1
InChIInChI=1S/C24H20N2/c1-15-4-7-17(8-5-15)22-13-24-21(14-25-22)20-11-18-9-6-16(2)10-19(18)12-23(20)26(24)3/h4-14H,1-3H3
InChIKeyWBCBPPRMCBXCKH-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.16
Rot. Bonds1

About 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 155039973) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

Compound Name5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
PubChem CID155039973
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
SMILESCc1ccc(-c2cc3c(cn2)c2cc4ccc(C)cc4cc2n3C)cc1
InChIInChI=1S/C24H20N2/c1-15-4-7-17(8-5-15)22-13-24-21(14-25-22)20-11-18-9-6-16(2)10-19(18)12-23(20)26(24)3/h4-14H,1-3H3
InChIKeyWBCBPPRMCBXCKH-UHFFFAOYSA-N
XLogP6.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene 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 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The IUPAC name of 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 155039973) is 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.
What is the SMILES notation for 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The canonical SMILES for 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is Cc1ccc(-c2cc3c(cn2)c2cc4ccc(C)cc4cc2n3C)cc1.
What is the InChIKey of 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
The InChIKey is WBCBPPRMCBXCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-15-4-7-17(8-5-15)22-13-24-21(14-25-22)20-11-18-9-6-16(2)10-19(18)12-23(20)26(24)3/h4-14H,1-3H3.
What are the key properties of 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?
5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 336.44 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-dimethyl-14-(4-methylphenyl)-13,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 155039973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).