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

C24H20Cl2N4 — CID 2483919

IUPAC(2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3N=C3C(Cl)=CC(Cl)=CN32)cc1
InChIInChI=1S/C24H20Cl2N4/c1-14-8-10-17(11-9-14)22-21-16(3)28-30(20-7-5-4-6-15(20)2)24(21)27-23-19(26)12-18(25)13-29(22)23/h4-13,22H,1-3H3/t22-/m1/s1
InChIKeyYEMNVAYACSCOFR-JOCHJYFZSA-N
MW435.36 g/mol
LogP6.45
Rot. Bonds2

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

(2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (PubChem CID 2483919) has the molecular formula C24H20Cl2N4 and a molecular weight of 435.36 g/mol. Its IUPAC name is (2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(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-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
PubChem CID2483919
Molecular FormulaC24H20Cl2N4
Molecular Weight435.36 g/mol
Exact Mass434.11
IUPAC Name(2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
SMILESCc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3N=C3C(Cl)=CC(Cl)=CN32)cc1
InChIInChI=1S/C24H20Cl2N4/c1-14-8-10-17(11-9-14)22-21-16(3)28-30(20-7-5-4-6-15(20)2)24(21)27-23-19(26)12-18(25)13-29(22)23/h4-13,22H,1-3H3/t22-/m1/s1
InChIKeyYEMNVAYACSCOFR-JOCHJYFZSA-N
XLogP6.45
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.36
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-10,12-dichloro-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-yl]benzaldehyde
CID 2405574
10,12-dichloro-4-methyl-6-(4-methylphenyl)-2-(3-phenoxyphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
CID 4218651
5-[(2R)-10,12-dichloro-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-yl]-2-methoxyphenol
CID 2405542
5-[10,12-dichloro-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-yl]-2-methoxyphenol
CID 4995070
(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
(2S)-10,12-dichloro-2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-6-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
CID 2405572
(17R)-13,17-bis(4-chlorophenyl)-15-methyl-1,11,13,14-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,8,10,12(16),14-heptaene
CID 2405697
1-[(16R)-16-(4-methoxyphenyl)-14-methyl-12-(2-methylphenyl)-1,8,10,12,13-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),13-hexaen-8-yl]ethanone
CID 2483865
17-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-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 3504294
10,12,13-trichloro-2-[4-(difluoromethoxy)phenyl]-4-methyl-6-phenyl-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene
CID 3393688
N-(4-bromophenyl)-17-(4-chlorophenyl)-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 3931800
(17S)-15-methyl-N-(2-methylphenyl)-13-phenyl-17-(4-propan-2-ylphenyl)-1,8,11,13,14-pentazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,10,12(16),14-hexaen-9-imine
CID 136792686

Frequently Asked Questions

What is the IUPAC name of (2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(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-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene (CID 2483919) is (2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(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-4-methyl-6-(2-methylphenyl)-2-(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-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene is Cc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3N=C3C(Cl)=CC(Cl)=CN32)cc1.
What is the InChIKey of (2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
The InChIKey is YEMNVAYACSCOFR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20Cl2N4/c1-14-8-10-17(11-9-14)22-21-16(3)28-30(20-7-5-4-6-15(20)2)24(21)27-23-19(26)12-18(25)13-29(22)23/h4-13,22H,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(4-methylphenyl)-1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene?
(2R)-10,12-dichloro-4-methyl-6-(2-methylphenyl)-2-(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 435.36 g/mol, XLogP of 6.45, 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-4-methyl-6-(2-methylphenyl)-2-(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 2483919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).