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

C19H12Cl2N6 — CID 3377066

IUPAC10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1
InChIInChI=1S/C19H12Cl2N6/c1-11-3-2-4-12(7-11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)13-5-6-15(20)16(21)8-13/h2-10H,1H3
InChIKeyQHVLXLOOYDETSS-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.75
Rot. Bonds2

About 10-(3,4-dichlorophenyl)-4-(3-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-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 3377066) has the molecular formula C19H12Cl2N6 and a molecular weight of 395.25 g/mol. Its IUPAC name is 10-(3,4-dichlorophenyl)-4-(3-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-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID3377066
Molecular FormulaC19H12Cl2N6
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1
InChIInChI=1S/C19H12Cl2N6/c1-11-3-2-4-12(7-11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)13-5-6-15(20)16(21)8-13/h2-10H,1H3
InChIKeyQHVLXLOOYDETSS-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-(3-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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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 30
CID 6539372
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
1-(4-chlorobenzyl)-4-(1-pyrrolidinyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 929952
4-(4-Chlorophenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine
CID 2095788
N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
1-(4-Chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidine
CID 3578502
4-[4-[(4-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine
CID 3011469
N-(3-chlorophenyl)-1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4138917

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dichlorophenyl)-4-(3-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-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 3377066) is 10-(3,4-dichlorophenyl)-4-(3-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-(3-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-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1.
What is the InChIKey of 10-(3,4-dichlorophenyl)-4-(3-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is QHVLXLOOYDETSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N6/c1-11-3-2-4-12(7-11)17-24-19-14-9-23-27(18(14)22-10-26(19)25-17)13-5-6-15(20)16(21)8-13/h2-10H,1H3.
What are the key properties of 10-(3,4-dichlorophenyl)-4-(3-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-(3-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-(3-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 3377066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).