4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one

C23H20N2O — CID 71474810

IUPAC4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
SMILESCc1ccc2nc3c4c(c2c1)C(=O)N(c1ccccc1)C4=CC(C)(C)C3
InChIInChI=1S/C23H20N2O/c1-14-9-10-17-16(11-14)20-21-18(24-17)12-23(2,3)13-19(21)25(22(20)26)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyDBSRHDVUGYMPTH-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.13
Rot. Bonds1

About 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one

4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one (PubChem CID 71474810) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one.

Molecular Properties

Compound Name4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
PubChem CID71474810
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
SMILESCc1ccc2nc3c4c(c2c1)C(=O)N(c1ccccc1)C4=CC(C)(C)C3
InChIInChI=1S/C23H20N2O/c1-14-9-10-17-16(11-14)20-21-18(24-17)12-23(2,3)13-19(21)25(22(20)26)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKeyDBSRHDVUGYMPTH-UHFFFAOYSA-N
XLogP5.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The IUPAC name of 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one (CID 71474810) is 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one.
What is the SMILES notation for 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The canonical SMILES for 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one is Cc1ccc2nc3c4c(c2c1)C(=O)N(c1ccccc1)C4=CC(C)(C)C3.
What is the InChIKey of 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
The InChIKey is DBSRHDVUGYMPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-14-9-10-17-16(11-14)20-21-18(24-17)12-23(2,3)13-19(21)25(22(20)26)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one?
4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one has a molecular weight of 340.43 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11,11-trimethyl-14-phenyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one is sourced from PubChem (CID 71474810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).