17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

C29H24N4O3 — CID 5014913

IUPAC17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4cccc(C)c4)nc4ccccc4n23)cc1
InChIInChI=1S/C29H24N4O3/c1-17-8-7-9-19(16-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(18-12-14-20(36-4)15-13-18)33(27)22-11-6-5-10-21(22)30-24/h5-16H,1-4H3
InChIKeyXJDDVUWRGSKVDZ-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.69
Rot. Bonds3

About 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione

17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (PubChem CID 5014913) has the molecular formula C29H24N4O3 and a molecular weight of 476.54 g/mol. Its IUPAC name is 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.

Molecular Properties

Compound Name17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
PubChem CID5014913
Molecular FormulaC29H24N4O3
Molecular Weight476.54 g/mol
Exact Mass476.18
IUPAC Name17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
SMILESCOc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4cccc(C)c4)nc4ccccc4n23)cc1
InChIInChI=1S/C29H24N4O3/c1-17-8-7-9-19(16-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(18-12-14-20(36-4)15-13-18)33(27)22-11-6-5-10-21(22)30-24/h5-16H,1-4H3
InChIKeyXJDDVUWRGSKVDZ-UHFFFAOYSA-N
XLogP4.69
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The IUPAC name of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione (CID 5014913) is 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione.
What is the SMILES notation for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The canonical SMILES for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(-c4cccc(C)c4)nc4ccccc4n23)cc1.
What is the InChIKey of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
The InChIKey is XJDDVUWRGSKVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O3/c1-17-8-7-9-19(16-17)24-27-26-23(28(34)32(3)29(35)31(26)2)25(18-12-14-20(36-4)15-13-18)33(27)22-11-6-5-10-21(22)30-24/h5-16H,1-4H3.
What are the key properties of 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione?
17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione has a molecular weight of 476.54 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-methoxyphenyl)-12,14-dimethyl-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione is sourced from PubChem (CID 5014913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).