4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C20H15ClN6 — CID 4282266

IUPAC4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)c(C)c1
InChIInChI=1S/C20H15ClN6/c1-12-7-8-17(13(2)9-12)27-19-15(10-23-27)20-24-18(25-26(20)11-22-19)14-5-3-4-6-16(14)21/h3-11H,1-2H3
InChIKeyOYNAIKYWBSJWTA-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.40
Rot. Bonds2

About 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4282266) has the molecular formula C20H15ClN6 and a molecular weight of 374.84 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4282266
Molecular FormulaC20H15ClN6
Molecular Weight374.84 g/mol
Exact Mass374.10
IUPAC Name4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)c(C)c1
InChIInChI=1S/C20H15ClN6/c1-12-7-8-17(13(2)9-12)27-19-15(10-23-27)20-24-18(25-26(20)11-22-19)14-5-3-4-6-16(14)21/h3-11H,1-2H3
InChIKeyOYNAIKYWBSJWTA-UHFFFAOYSA-N
XLogP4.40
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[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-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4282266) is 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)c(C)c1.
What is the InChIKey of 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is OYNAIKYWBSJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6/c1-12-7-8-17(13(2)9-12)27-19-15(10-23-27)20-24-18(25-26(20)11-22-19)14-5-3-4-6-16(14)21/h3-11H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 374.84 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-10-(2,4-dimethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 4282266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).