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

C19H13ClN6O — CID 2014545

IUPAC10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1
InChIInChI=1S/C19H13ClN6O/c1-27-15-8-2-12(3-9-15)17-23-24-19-16-10-22-26(18(16)21-11-25(17)19)14-6-4-13(20)5-7-14/h2-11H,1H3
InChIKeyMYCQZPAPRBDYPH-UHFFFAOYSA-N
MW376.81 g/mol
LogP3.79
Rot. Bonds3

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

10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 2014545) has the molecular formula C19H13ClN6O and a molecular weight of 376.81 g/mol. Its IUPAC name is 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID2014545
Molecular FormulaC19H13ClN6O
Molecular Weight376.81 g/mol
Exact Mass376.08
IUPAC Name10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCOc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1
InChIInChI=1S/C19H13ClN6O/c1-27-15-8-2-12(3-9-15)17-23-24-19-16-10-22-26(18(16)21-11-25(17)19)14-6-4-13(20)5-7-14/h2-11H,1H3
InChIKeyMYCQZPAPRBDYPH-UHFFFAOYSA-N
XLogP3.79
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-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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Related Compounds

10-(4-methylphenyl)-5-pyridin-4-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 663578
2-[10-(4-chlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]phenol
CID 2017914
5-(2,4-dimethoxyphenyl)-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3947636
10-(3-chlorophenyl)-5-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4212165
5-(3,4-dichlorophenyl)-10-(3,4-dimethylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 3684772
10-(4-fluorophenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 939400
10-(3,4-dimethylphenyl)-5-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 944579
10-methyl-5-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 753565
2-[10-(4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]phenol
CID 4909702
N-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1069938
5-(2-chlorophenyl)-10-(3-chlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2015177
10-(4-fluorophenyl)-5-pyridin-3-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 946496

Frequently Asked Questions

What is the IUPAC name of 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 2014545) is 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is COc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1.
What is the InChIKey of 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is MYCQZPAPRBDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN6O/c1-27-15-8-2-12(3-9-15)17-23-24-19-16-10-22-26(18(16)21-11-25(17)19)14-6-4-13(20)5-7-14/h2-11H,1H3.
What are the key properties of 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
10-(4-chlorophenyl)-5-(4-methoxyphenyl)-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 376.81 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chlorophenyl)-5-(4-methoxyphenyl)-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 2014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).