bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane

C116H102Cl2N10O13 — CID 160719762

IUPACbis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane
SMILESC.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1ccc2c(=O)n(C)nc(CC(=O)Cc3ccc4oc5ccccc5c4c3)c2c1.Cc1ccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c2c1.Cc1cccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c12
InChIInChI=1S/3C25H20N2O3.2C20H19ClN2O2.CH4/c1-15-6-5-8-19-21(26-27(2)25(29)24(15)19)14-17(28)12-16-10-11-23-20(13-16)18-7-3-4-9-22(18)30-23;1-15-7-9-18-21(11-15)25(29)27(2)26-22(18)14-17(28)12-16-8-10-24-20(13-16)19-5-3-4-6-23(19)30-24;1-15-7-9-19-20(11-15)22(26-27(2)25(19)29)14-17(28)12-16-8-10-24-21(13-16)18-5-3-4-6-23(18)30-24;2*1-12-5-4-6-16-18(22-23(3)20(25)19(12)16)11-15(24)10-14-7-8-17(21)13(2)9-14;/h3*3-11,13H,12,14H2,1-2H3;2*4-9H,10-11H2,1-3H3;1H4
InChIKeyRSYGXDNDNWKSSG-UHFFFAOYSA-N
MW1915.05 g/mol
LogP21.24
Rot. Bonds20

About bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane

bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane (PubChem CID 160719762) has the molecular formula C116H102Cl2N10O13 and a molecular weight of 1915.05 g/mol. Its IUPAC name is bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane.

Molecular Properties

Compound Namebis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane
PubChem CID160719762
Molecular FormulaC116H102Cl2N10O13
Molecular Weight1915.05 g/mol
Exact Mass1912.70
IUPAC Namebis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane
SMILESC.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1ccc2c(=O)n(C)nc(CC(=O)Cc3ccc4oc5ccccc5c4c3)c2c1.Cc1ccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c2c1.Cc1cccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c12
InChIInChI=1S/3C25H20N2O3.2C20H19ClN2O2.CH4/c1-15-6-5-8-19-21(26-27(2)25(29)24(15)19)14-17(28)12-16-10-11-23-20(13-16)18-7-3-4-9-22(18)30-23;1-15-7-9-18-21(11-15)25(29)27(2)26-22(18)14-17(28)12-16-8-10-24-20(13-16)19-5-3-4-6-23(19)30-24;1-15-7-9-19-20(11-15)22(26-27(2)25(19)29)14-17(28)12-16-8-10-24-21(13-16)18-5-3-4-6-23(18)30-24;2*1-12-5-4-6-16-18(22-23(3)20(25)19(12)16)11-15(24)10-14-7-8-17(21)13(2)9-14;/h3*3-11,13H,12,14H2,1-2H3;2*4-9H,10-11H2,1-3H3;1H4
InChIKeyRSYGXDNDNWKSSG-UHFFFAOYSA-N
XLogP21.24
TPSA299.22 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.05
LogP ≤ 521.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane?
The IUPAC name of bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane (CID 160719762) is bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane.
What is the SMILES notation for bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane?
The canonical SMILES for bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane is C.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1cc(CC(=O)Cc2nn(C)c(=O)c3c(C)cccc23)ccc1Cl.Cc1ccc2c(=O)n(C)nc(CC(=O)Cc3ccc4oc5ccccc5c4c3)c2c1.Cc1ccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c2c1.Cc1cccc2c(CC(=O)Cc3ccc4oc5ccccc5c4c3)nn(C)c(=O)c12.
What is the InChIKey of bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane?
The InChIKey is RSYGXDNDNWKSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H20N2O3.2C20H19ClN2O2.CH4/c1-15-6-5-8-19-21(26-27(2)25(29)24(15)19)14-17(28)12-16-10-11-23-20(13-16)18-7-3-4-9-22(18)30-23;1-15-7-9-18-21(11-15)25(29)27(2)26-22(18)14-17(28)12-16-8-10-24-20(13-16)19-5-3-4-6-23(19)30-24;1-15-7-9-19-20(11-15)22(26-27(2)25(19)29)14-17(28)12-16-8-10-24-21(13-16)18-5-3-4-6-23(18)30-24;2*1-12-5-4-6-16-18(22-23(3)20(25)19(12)16)11-15(24)10-14-7-8-17(21)13(2)9-14;/h3*3-11,13H,12,14H2,1-2H3;2*4-9H,10-11H2,1-3H3;1H4.
What are the key properties of bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane?
bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane has a molecular weight of 1915.05 g/mol, XLogP of 21.24, 20 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[3-(4-chloro-3-methylphenyl)-2-oxopropyl]-2,8-dimethylphthalazin-1-one);4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,6-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,7-dimethylphthalazin-1-one;4-(3-dibenzofuran-2-yl-2-oxopropyl)-2,8-dimethylphthalazin-1-one;methane is sourced from PubChem (CID 160719762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).