9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine

C22H13N5 — CID 135429898

IUPAC9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine
SMILES[H]/N=c1\nc(-c2ccccc2)nc2[nH]c3c4cccc5cccc(c3nc12)c54
InChIInChI=1S/C22H13N5/c23-20-19-22(27-21(26-20)13-6-2-1-3-7-13)25-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)24-19/h1-11H,(H2,23,25,26,27)
InChIKeyGVUHZTTYZGRNIV-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.40
Rot. Bonds1

About 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine

9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine (PubChem CID 135429898) has the molecular formula C22H13N5 and a molecular weight of 347.38 g/mol. Its IUPAC name is 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine.

Molecular Properties

Compound Name9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine
PubChem CID135429898
Molecular FormulaC22H13N5
Molecular Weight347.38 g/mol
Exact Mass347.12
IUPAC Name9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine
SMILES[H]/N=c1\nc(-c2ccccc2)nc2[nH]c3c4cccc5cccc(c3nc12)c54
InChIInChI=1S/C22H13N5/c23-20-19-22(27-21(26-20)13-6-2-1-3-7-13)25-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)24-19/h1-11H,(H2,23,25,26,27)
InChIKeyGVUHZTTYZGRNIV-UHFFFAOYSA-N
XLogP4.40
TPSA78.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine?
The IUPAC name of 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine (CID 135429898) is 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine.
What is the SMILES notation for 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine?
The canonical SMILES for 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine is [H]/N=c1\nc(-c2ccccc2)nc2[nH]c3c4cccc5cccc(c3nc12)c54.
What is the InChIKey of 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine?
The InChIKey is GVUHZTTYZGRNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5/c23-20-19-22(27-21(26-20)13-6-2-1-3-7-13)25-18-15-11-5-9-12-8-4-10-14(16(12)15)17(18)24-19/h1-11H,(H2,23,25,26,27).
What are the key properties of 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine?
9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine has a molecular weight of 347.38 g/mol, XLogP of 4.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-7H-acenaphthyleno[2,1-g]pteridin-11-imine is sourced from PubChem (CID 135429898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).