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

C28H24N4O2 — CID 23614053

IUPAC12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1NC2c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-17-11-7-8-14-19(17)24-22-25(30(2)28(34)31(3)27(22)33)26-23(18-12-5-4-6-13-18)29-20-15-9-10-16-21(20)32(24)26/h4-16,23,29H,1-3H3
InChIKeyXCDAGQUCKFHONX-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.52
Rot. Bonds2

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

12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (PubChem CID 23614053) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.

Molecular Properties

Compound Name12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
PubChem CID23614053
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1NC2c1ccccc1
InChIInChI=1S/C28H24N4O2/c1-17-11-7-8-14-19(17)24-22-25(30(2)28(34)31(3)27(22)33)26-23(18-12-5-4-6-13-18)29-20-15-9-10-16-21(20)32(24)26/h4-16,23,29H,1-3H3
InChIKeyXCDAGQUCKFHONX-UHFFFAOYSA-N
XLogP4.52
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The IUPAC name of 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (CID 23614053) is 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione.
What is the SMILES notation for 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The canonical SMILES for 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is Cc1ccccc1-c1c2c(=O)n(C)c(=O)n(C)c2c2n1-c1ccccc1NC2c1ccccc1.
What is the InChIKey of 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
The InChIKey is XCDAGQUCKFHONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-17-11-7-8-14-19(17)24-22-25(30(2)28(34)31(3)27(22)33)26-23(18-12-5-4-6-13-18)29-20-15-9-10-16-21(20)32(24)26/h4-16,23,29H,1-3H3.
What are the key properties of 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione?
12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione has a molecular weight of 448.53 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12,14-dimethyl-17-(2-methylphenyl)-9-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is sourced from PubChem (CID 23614053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).