(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

C35H24N2O2 — CID 2386957

IUPAC(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12
InChIInChI=1S/C35H24N2O2/c1-23-29(35(38)37(36-23)26-17-9-4-10-18-26)21-31-27-19-11-12-20-28(27)33-30(24-13-5-2-6-14-24)22-32(39-34(31)33)25-15-7-3-8-16-25/h2-22,36H,1H2/b29-21-
InChIKeyNXSMVVODOBJTCX-ANYBSYGZSA-N
MW504.59 g/mol
LogP6.59
Rot. Bonds4

About (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one

(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (PubChem CID 2386957) has the molecular formula C35H24N2O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.

Molecular Properties

Compound Name(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
PubChem CID2386957
Molecular FormulaC35H24N2O2
Molecular Weight504.59 g/mol
Exact Mass504.18
IUPAC Name(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one
SMILESC=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12
InChIInChI=1S/C35H24N2O2/c1-23-29(35(38)37(36-23)26-17-9-4-10-18-26)21-31-27-19-11-12-20-28(27)33-30(24-13-5-2-6-14-24)22-32(39-34(31)33)25-15-7-3-8-16-25/h2-22,36H,1H2/b29-21-
InChIKeyNXSMVVODOBJTCX-ANYBSYGZSA-N
XLogP6.59
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The IUPAC name of (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one (CID 2386957) is (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one.
What is the SMILES notation for (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The canonical SMILES for (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is C=c1[nH]n(-c2ccccc2)c(=O)/c1=C\c1c2oc(-c3ccccc3)cc(-c3ccccc3)c-2c2ccccc12.
What is the InChIKey of (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
The InChIKey is NXSMVVODOBJTCX-ANYBSYGZSA-N. The full InChI is InChI=1S/C35H24N2O2/c1-23-29(35(38)37(36-23)26-17-9-4-10-18-26)21-31-27-19-11-12-20-28(27)33-30(24-13-5-2-6-14-24)22-32(39-34(31)33)25-15-7-3-8-16-25/h2-22,36H,1H2/b29-21-.
What are the key properties of (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one?
(4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one has a molecular weight of 504.59 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2,4-diphenylindeno[2,3-b]pyran-9-yl)methylidene]-5-methylidene-2-phenylpyrazolidin-3-one is sourced from PubChem (CID 2386957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).