(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene

C23H16Cl4N4 — CID 2405482

IUPAC(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCc1ccc(-n2nc(C)c3c2N=C2C(Cl)=CC(Cl)=CN2[C@H]3c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl4N4/c1-12-3-6-16(7-4-12)31-23-20(13(2)29-31)21(17-8-5-14(24)9-18(17)26)30-11-15(25)10-19(27)22(30)28-23/h3-11,21H,1-2H3/t21-/m0/s1
InChIKeyOYKHWQNRGGNWPS-NRFANRHFSA-N
MW490.22 g/mol
LogP7.45
Rot. Bonds2

About (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene

(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (PubChem CID 2405482) has the molecular formula C23H16Cl4N4 and a molecular weight of 490.22 g/mol. Its IUPAC name is (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene.

Molecular Properties

Compound Name(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
PubChem CID2405482
Molecular FormulaC23H16Cl4N4
Molecular Weight490.22 g/mol
Exact Mass488.01
IUPAC Name(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCc1ccc(-n2nc(C)c3c2N=C2C(Cl)=CC(Cl)=CN2[C@H]3c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H16Cl4N4/c1-12-3-6-16(7-4-12)31-23-20(13(2)29-31)21(17-8-5-14(24)9-18(17)26)30-11-15(25)10-19(27)22(30)28-23/h3-11,21H,1-2H3/t21-/m0/s1
InChIKeyOYKHWQNRGGNWPS-NRFANRHFSA-N
XLogP7.45
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.22
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene with MolForge

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Related Compounds

4-(4-chlorophenyl)-N,N-dimethyl-5-phenyl-1-propan-2-yl-4H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 16349687
4-(2-Chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-a]pyrimidine
CID 132278293
7-(4-Chlorophenyl)-2-methyl-5-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 15516976
10,12-Dichloro-4-methyl-2-phenyl-6-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
CID 4005864
5-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
CID 9583827
N-benzyl-4-[2-(3,5-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 155808841
4-(4-Chlorophenyl)-3-methyl-1-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-a]pyrimidine
CID 132279020
(17S)-N-(3-chloro-4-methylphenyl)-17-(2-fluorophenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
CID 1883375
(17R)-N-(3-chloro-4-methylphenyl)-17-(2-fluorophenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
CID 1883376
(17R)-N-(3-chloro-4-methylphenyl)-17-(4-fluorophenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
CID 1883602
(17S)-N-(3-chloro-4-methylphenyl)-17-(4-fluorophenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
CID 1883603
(17S)-17-(4-chlorophenyl)-N-(3-fluorophenyl)-15-methyl-13-phenyl-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaen-9-amine
CID 1928774

Frequently Asked Questions

What is the IUPAC name of (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The IUPAC name of (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (CID 2405482) is (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene.
What is the SMILES notation for (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The canonical SMILES for (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene is Cc1ccc(-n2nc(C)c3c2N=C2C(Cl)=CC(Cl)=CN2[C@H]3c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The InChIKey is OYKHWQNRGGNWPS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H16Cl4N4/c1-12-3-6-16(7-4-12)31-23-20(13(2)29-31)21(17-8-5-14(24)9-18(17)26)30-11-15(25)10-19(27)22(30)28-23/h3-11,21H,1-2H3/t21-/m0/s1.
What are the key properties of (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
(2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene has a molecular weight of 490.22 g/mol, XLogP of 7.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-10,12-dichloro-2-(2,4-dichlorophenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene is sourced from PubChem (CID 2405482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).