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

C19H12Cl2N6 — CID 1308987

IUPAC10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccc(-c2nnc3c4cnn(Cc5ccccc5)c4ncn23)c(Cl)c1
InChIInChI=1S/C19H12Cl2N6/c20-13-6-7-14(16(21)8-13)18-24-25-19-15-9-23-27(17(15)22-11-26(18)19)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyMSKAHSLBHPNVOF-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.50
Rot. Bonds3

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

10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 1308987) has the molecular formula C19H12Cl2N6 and a molecular weight of 395.25 g/mol. Its IUPAC name is 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID1308987
Molecular FormulaC19H12Cl2N6
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESClc1ccc(-c2nnc3c4cnn(Cc5ccccc5)c4ncn23)c(Cl)c1
InChIInChI=1S/C19H12Cl2N6/c20-13-6-7-14(16(21)8-13)18-24-25-19-15-9-23-27(17(15)22-11-26(18)19)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyMSKAHSLBHPNVOF-UHFFFAOYSA-N
XLogP4.50
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-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 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 1308987) is 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Clc1ccc(-c2nnc3c4cnn(Cc5ccccc5)c4ncn23)c(Cl)c1.
What is the InChIKey of 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is MSKAHSLBHPNVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6/c20-13-6-7-14(16(21)8-13)18-24-25-19-15-9-23-27(17(15)22-11-26(18)19)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 395.25 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 1308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).