1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine

C19H14N2 — CID 58854062

IUPAC1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine
SMILESC1=CC(c2nnc(-c3ccccc3)c3ccccc23)=CC1
InChIInChI=1S/C19H14N2/c1-2-8-14(9-3-1)18-16-12-6-7-13-17(16)19(21-20-18)15-10-4-5-11-15/h1-4,6-13H,5H2
InChIKeyIZNOPZUNSXNGNN-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.64
Rot. Bonds2

About 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine

1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine (PubChem CID 58854062) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine
PubChem CID58854062
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine
SMILESC1=CC(c2nnc(-c3ccccc3)c3ccccc23)=CC1
InChIInChI=1S/C19H14N2/c1-2-8-14(9-3-1)18-16-12-6-7-13-17(16)19(21-20-18)15-10-4-5-11-15/h1-4,6-13H,5H2
InChIKeyIZNOPZUNSXNGNN-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine (CID 58854062) is 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine is C1=CC(c2nnc(-c3ccccc3)c3ccccc23)=CC1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine?
The InChIKey is IZNOPZUNSXNGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-2-8-14(9-3-1)18-16-12-6-7-13-17(16)19(21-20-18)15-10-4-5-11-15/h1-4,6-13H,5H2.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine?
1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine has a molecular weight of 270.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-4-phenylphthalazine is sourced from PubChem (CID 58854062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).