8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene

C21H19N5 — CID 70551406

IUPAC8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene
SMILESc1ccc(C2(c3ccncc3)Nc3ccncc3C3=NCCCN32)cc1
InChIInChI=1S/C21H19N5/c1-2-5-16(6-3-1)21(17-7-11-22-12-8-17)25-19-9-13-23-15-18(19)20-24-10-4-14-26(20)21/h1-3,5-9,11-13,15,25H,4,10,14H2
InChIKeyBAIPKYOWZDTLFC-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.26
Rot. Bonds2

About 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene

8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene (PubChem CID 70551406) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene.

Molecular Properties

Compound Name8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene
PubChem CID70551406
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene
SMILESc1ccc(C2(c3ccncc3)Nc3ccncc3C3=NCCCN32)cc1
InChIInChI=1S/C21H19N5/c1-2-5-16(6-3-1)21(17-7-11-22-12-8-17)25-19-9-13-23-15-18(19)20-24-10-4-14-26(20)21/h1-3,5-9,11-13,15,25H,4,10,14H2
InChIKeyBAIPKYOWZDTLFC-UHFFFAOYSA-N
XLogP3.26
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene?
The IUPAC name of 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene (CID 70551406) is 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene.
What is the SMILES notation for 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene?
The canonical SMILES for 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene is c1ccc(C2(c3ccncc3)Nc3ccncc3C3=NCCCN32)cc1.
What is the InChIKey of 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene?
The InChIKey is BAIPKYOWZDTLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-5-16(6-3-1)21(17-7-11-22-12-8-17)25-19-9-13-23-15-18(19)20-24-10-4-14-26(20)21/h1-3,5-9,11-13,15,25H,4,10,14H2.
What are the key properties of 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene?
8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene has a molecular weight of 341.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-8-pyridin-4-yl-3,7,9,13-tetrazatricyclo[8.4.0.02,7]tetradeca-1(10),2,11,13-tetraene is sourced from PubChem (CID 70551406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).