4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C24H25N — CID 59295530

IUPAC4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCC(C)(C)c1cc(-c2ccccc2)c2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C24H25N/c1-24(2,3)22-16-21(18-10-5-4-6-11-18)20-15-9-13-17-12-7-8-14-19(17)23(20)25-22/h4-8,10-12,14,16H,9,13,15H2,1-3H3
InChIKeyVCWZLONCUVMTNY-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.20
Rot. Bonds1

About 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 59295530) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID59295530
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCC(C)(C)c1cc(-c2ccccc2)c2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C24H25N/c1-24(2,3)22-16-21(18-10-5-4-6-11-18)20-15-9-13-17-12-7-8-14-19(17)23(20)25-22/h4-8,10-12,14,16H,9,13,15H2,1-3H3
InChIKeyVCWZLONCUVMTNY-UHFFFAOYSA-N
XLogP6.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 59295530) is 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CC(C)(C)c1cc(-c2ccccc2)c2c(n1)-c1ccccc1CCC2.
What is the InChIKey of 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is VCWZLONCUVMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-24(2,3)22-16-21(18-10-5-4-6-11-18)20-15-9-13-17-12-7-8-14-19(17)23(20)25-22/h4-8,10-12,14,16H,9,13,15H2,1-3H3.
What are the key properties of 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 327.47 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 59295530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).