4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene

C18H16N2 — CID 22934124

IUPAC4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
SMILESc1ccc(-c2nc3c([nH]2)CCCc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2/c1-2-8-14(9-3-1)18-19-16-12-6-10-13-7-4-5-11-15(13)17(16)20-18/h1-5,7-9,11H,6,10,12H2,(H,19,20)
InChIKeyCQFULGKBGZXNNU-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.23
Rot. Bonds1

About 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene

4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene (PubChem CID 22934124) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene.

Molecular Properties

Compound Name4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
PubChem CID22934124
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
SMILESc1ccc(-c2nc3c([nH]2)CCCc2ccccc2-3)cc1
InChIInChI=1S/C18H16N2/c1-2-8-14(9-3-1)18-19-16-12-6-10-13-7-4-5-11-15(13)17(16)20-18/h1-5,7-9,11H,6,10,12H2,(H,19,20)
InChIKeyCQFULGKBGZXNNU-UHFFFAOYSA-N
XLogP4.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The IUPAC name of 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene (CID 22934124) is 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene.
What is the SMILES notation for 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The canonical SMILES for 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene is c1ccc(-c2nc3c([nH]2)CCCc2ccccc2-3)cc1.
What is the InChIKey of 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
The InChIKey is CQFULGKBGZXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-8-14(9-3-1)18-19-16-12-6-10-13-7-4-5-11-15(13)17(16)20-18/h1-5,7-9,11H,6,10,12H2,(H,19,20).
What are the key properties of 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene?
4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene has a molecular weight of 260.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene is sourced from PubChem (CID 22934124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).