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

C29H26N4O2 — CID 23614055

IUPAC12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCc1cccc(C2Nc3ccccc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)c1
InChIInChI=1S/C29H26N4O2/c1-17-10-9-12-19(16-17)24-27-26-23(28(34)32(4)29(35)31(26)3)25(20-13-6-5-11-18(20)2)33(27)22-15-8-7-14-21(22)30-24/h5-16,24,30H,1-4H3
InChIKeyVCTQUDUPPQZOHY-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.83
Rot. Bonds2

About 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (PubChem CID 23614055) has the molecular formula C29H26N4O2 and a molecular weight of 462.55 g/mol. Its IUPAC name is 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
PubChem CID23614055
Molecular FormulaC29H26N4O2
Molecular Weight462.55 g/mol
Exact Mass462.21
IUPAC Name12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
SMILESCc1cccc(C2Nc3ccccc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)c1
InChIInChI=1S/C29H26N4O2/c1-17-10-9-12-19(16-17)24-27-26-23(28(34)32(4)29(35)31(26)3)25(20-13-6-5-11-18(20)2)33(27)22-15-8-7-14-21(22)30-24/h5-16,24,30H,1-4H3
InChIKeyVCTQUDUPPQZOHY-UHFFFAOYSA-N
XLogP4.83
TPSA60.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione (CID 23614055) is 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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-(3-methylphenyl)-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-(3-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione is Cc1cccc(C2Nc3ccccc3-n3c(-c4ccccc4C)c4c(=O)n(C)c(=O)n(C)c4c32)c1.
What is the InChIKey of 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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 VCTQUDUPPQZOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2/c1-17-10-9-12-19(16-17)24-27-26-23(28(34)32(4)29(35)31(26)3)25(20-13-6-5-11-18(20)2)33(27)22-15-8-7-14-21(22)30-24/h5-16,24,30H,1-4H3.
What are the key properties of 12,14-dimethyl-17-(2-methylphenyl)-9-(3-methylphenyl)-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-(3-methylphenyl)-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 462.55 g/mol, XLogP of 4.83, 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-(3-methylphenyl)-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 23614055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).