(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone

C30H24Cl2N2O2 — CID 2509814

IUPAC(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone
SMILESCOc1ccc(-c2cn3c(C(=O)c4ccc(Cl)cc4Cl)c(-c4ccccc4)c4c3n2CCCC4)cc1
InChIInChI=1S/C30H24Cl2N2O2/c1-36-22-13-10-19(11-14-22)26-18-34-28(29(35)23-15-12-21(31)17-25(23)32)27(20-7-3-2-4-8-20)24-9-5-6-16-33(26)30(24)34/h2-4,7-8,10-15,17-18H,5-6,9,16H2,1H3
InChIKeyJGAFZIMLIVCWSN-UHFFFAOYSA-N
MW515.44 g/mol
LogP7.96
Rot. Bonds5

About (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone

(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone (PubChem CID 2509814) has the molecular formula C30H24Cl2N2O2 and a molecular weight of 515.44 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone
PubChem CID2509814
Molecular FormulaC30H24Cl2N2O2
Molecular Weight515.44 g/mol
Exact Mass514.12
IUPAC Name(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone
SMILESCOc1ccc(-c2cn3c(C(=O)c4ccc(Cl)cc4Cl)c(-c4ccccc4)c4c3n2CCCC4)cc1
InChIInChI=1S/C30H24Cl2N2O2/c1-36-22-13-10-19(11-14-22)26-18-34-28(29(35)23-15-12-21(31)17-25(23)32)27(20-7-3-2-4-8-20)24-9-5-6-16-33(26)30(24)34/h2-4,7-8,10-15,17-18H,5-6,9,16H2,1H3
InChIKeyJGAFZIMLIVCWSN-UHFFFAOYSA-N
XLogP7.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.44
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone 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

1-[6-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]ethanone
CID 2010987
N-(2-chlorophenyl)-6-(4-methoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 3776682
1-[6-(4-chlorophenyl)-2-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]propan-1-one
CID 2017641
2-(4-methoxyphenyl)-N,6-diphenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 3780281
N-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 2010654
6-(4-bromophenyl)-N-(3-chlorophenyl)-2-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 2066157
2-(3,4-dichlorophenyl)-N,6-bis(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 2063151
6-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 2036361
6-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 34638163
N-(4-chlorophenyl)-2-(4-methylphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 3956711
1-[2-(4-fluorophenyl)-6-(4-methoxyphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]propan-1-one
CID 2003638
6-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-N-(3-methylphenyl)-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
CID 45132332

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone (CID 2509814) is (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone is COc1ccc(-c2cn3c(C(=O)c4ccc(Cl)cc4Cl)c(-c4ccccc4)c4c3n2CCCC4)cc1.
What is the InChIKey of (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone?
The InChIKey is JGAFZIMLIVCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N2O2/c1-36-22-13-10-19(11-14-22)26-18-34-28(29(35)23-15-12-21(31)17-25(23)32)27(20-7-3-2-4-8-20)24-9-5-6-16-33(26)30(24)34/h2-4,7-8,10-15,17-18H,5-6,9,16H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone?
(2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone has a molecular weight of 515.44 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[2-(4-methoxyphenyl)-6-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-trien-5-yl]methanone is sourced from PubChem (CID 2509814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).