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

C19H12Cl2N6 — CID 2022678

IUPAC10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccccc1-c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1
InChIInChI=1S/C19H12Cl2N6/c1-11-4-2-3-5-13(11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)12-6-7-15(20)16(21)8-12/h2-10H,1H3
InChIKeyAAUUXPFLMCJQIC-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.75
Rot. Bonds2

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

10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 2022678) has the molecular formula C19H12Cl2N6 and a molecular weight of 395.25 g/mol. Its IUPAC name is 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID2022678
Molecular FormulaC19H12Cl2N6
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1ccccc1-c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1
InChIInChI=1S/C19H12Cl2N6/c1-11-4-2-3-5-13(11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)12-6-7-15(20)16(21)8-12/h2-10H,1H3
InChIKeyAAUUXPFLMCJQIC-UHFFFAOYSA-N
XLogP4.75
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 2022678) is 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1ccccc1-c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1.
What is the InChIKey of 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is AAUUXPFLMCJQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6/c1-11-4-2-3-5-13(11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)12-6-7-15(20)16(21)8-12/h2-10H,1H3.
What are the key properties of 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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 395.25 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dichlorophenyl)-4-(2-methylphenyl)-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 2022678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).