8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene

C16H9N5O — CID 650321

IUPAC8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene
SMILESc1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C16H9N5O/c1-2-6-10(7-3-1)15-18-14-13(19-22-20-14)16-17-11-8-4-5-9-12(11)21(15)16/h1-9H
InChIKeyUQVFPELVKBDQIB-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.09
Rot. Bonds1

About 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene

8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene (PubChem CID 650321) has the molecular formula C16H9N5O and a molecular weight of 287.28 g/mol. Its IUPAC name is 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene
PubChem CID650321
Molecular FormulaC16H9N5O
Molecular Weight287.28 g/mol
Exact Mass287.08
IUPAC Name8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene
SMILESc1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C16H9N5O/c1-2-6-10(7-3-1)15-18-14-13(19-22-20-14)16-17-11-8-4-5-9-12(11)21(15)16/h1-9H
InChIKeyUQVFPELVKBDQIB-UHFFFAOYSA-N
XLogP3.09
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene?
The IUPAC name of 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene (CID 650321) is 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene.
What is the SMILES notation for 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene?
The canonical SMILES for 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene is c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1.
What is the InChIKey of 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene?
The InChIKey is UQVFPELVKBDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5O/c1-2-6-10(7-3-1)15-18-14-13(19-22-20-14)16-17-11-8-4-5-9-12(11)21(15)16/h1-9H.
What are the key properties of 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene?
8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene has a molecular weight of 287.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-4-oxa-3,5,7,9,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,5,7,10,12,14-heptaene is sourced from PubChem (CID 650321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).