4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C16H10N6O — CID 664194

IUPAC4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1
InChIInChI=1S/C16H10N6O/c1-2-5-11(6-3-1)22-15-12(9-18-22)16-19-14(13-7-4-8-23-13)20-21(16)10-17-15/h1-10H
InChIKeyLOZLCYKNQREUGG-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.72
Rot. Bonds2

About 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 664194) has the molecular formula C16H10N6O and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID664194
Molecular FormulaC16H10N6O
Molecular Weight302.30 g/mol
Exact Mass302.09
IUPAC Name4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1
InChIInChI=1S/C16H10N6O/c1-2-5-11(6-3-1)22-15-12(9-18-22)16-19-14(13-7-4-8-23-13)20-21(16)10-17-15/h1-10H
InChIKeyLOZLCYKNQREUGG-UHFFFAOYSA-N
XLogP2.72
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 664194) is 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is c1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1.
What is the InChIKey of 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is LOZLCYKNQREUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O/c1-2-5-11(6-3-1)22-15-12(9-18-22)16-19-14(13-7-4-8-23-13)20-21(16)10-17-15/h1-10H.
What are the key properties of 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 302.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-phenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 664194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).