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

C18H11ClN6 — CID 4912225

IUPAC10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccccc3)nc21
InChIInChI=1S/C18H11ClN6/c19-14-8-4-5-9-15(14)25-17-13(10-21-25)18-22-16(23-24(18)11-20-17)12-6-2-1-3-7-12/h1-11H
InChIKeyJGMLFWAEEWGKDJ-UHFFFAOYSA-N
MW346.78 g/mol
LogP3.78
Rot. Bonds2

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

10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 4912225) has the molecular formula C18H11ClN6 and a molecular weight of 346.78 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID4912225
Molecular FormulaC18H11ClN6
Molecular Weight346.78 g/mol
Exact Mass346.07
IUPAC Name10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccccc1-n1ncc2c1ncn1nc(-c3ccccc3)nc21
InChIInChI=1S/C18H11ClN6/c19-14-8-4-5-9-15(14)25-17-13(10-21-25)18-22-16(23-24(18)11-20-17)12-6-2-1-3-7-12/h1-11H
InChIKeyJGMLFWAEEWGKDJ-UHFFFAOYSA-N
XLogP3.78
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-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 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 4912225) is 10-(2-chlorophenyl)-4-phenyl-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 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Clc1ccccc1-n1ncc2c1ncn1nc(-c3ccccc3)nc21.
What is the InChIKey of 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is JGMLFWAEEWGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN6/c19-14-8-4-5-9-15(14)25-17-13(10-21-25)18-22-16(23-24(18)11-20-17)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 10-(2-chlorophenyl)-4-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(2-chlorophenyl)-4-phenyl-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 346.78 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-4-phenyl-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 4912225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).