(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C26H17NO5 — CID 102564953

IUPAC(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(C2=Cc3ccccc3OC2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1
InChIInChI=1S/C26H17NO5/c28-23-12-19(17-11-16-5-1-2-6-20(16)30-14-17)24-21(31-23)8-7-18-25(29)22(32-26(18)24)10-15-4-3-9-27-13-15/h1-11,13,19H,12,14H2/b22-10-
InChIKeyUOWGLVOJIJHWBK-YVNNLAQVSA-N
MW423.42 g/mol
LogP4.57
Rot. Bonds2

About (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 102564953) has the molecular formula C26H17NO5 and a molecular weight of 423.42 g/mol. Its IUPAC name is (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

Compound Name(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
PubChem CID102564953
Molecular FormulaC26H17NO5
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC Name(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
SMILESO=C1CC(C2=Cc3ccccc3OC2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1
InChIInChI=1S/C26H17NO5/c28-23-12-19(17-11-16-5-1-2-6-20(16)30-14-17)24-21(31-23)8-7-18-25(29)22(32-26(18)24)10-15-4-3-9-27-13-15/h1-11,13,19H,12,14H2/b22-10-
InChIKeyUOWGLVOJIJHWBK-YVNNLAQVSA-N
XLogP4.57
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2Z,9S)-9-(2H-chromen-3-yl)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879027
9-(2-propan-2-yloxyphenyl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162941474
9-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162981361
(2Z,9R)-2-benzylidene-9-pyridin-4-yl-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124878656
2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 102564674
10-(2H-chromen-3-yl)-2,2-dimethyl-9,10-dihydro-3H-pyrano[2,3-f]chromene-4,8-dione
CID 91636536
(2Z,9R)-9-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 99999441
(2Z)-2-benzylidene-9-(2,3-dihydro-1,4-benzodioxin-6-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206822
2-benzylidene-9-(2-methoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 162879710
(2Z,9R)-9-pyridin-4-yl-2-[(3,4,5-trifluorophenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124879049
(2E,9S)-2-benzylidene-9-(4-hydroxy-3,5-dimethoxyphenyl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124877012
methyl 4-[[3,7-dioxo-9-[3-(pyridin-3-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromen-2-ylidene]methyl]benzoate
CID 163091452

Frequently Asked Questions

What is the IUPAC name of (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The IUPAC name of (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 102564953) is (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.
What is the SMILES notation for (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The canonical SMILES for (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is O=C1CC(C2=Cc3ccccc3OC2)c2c(ccc3c2O/C(=C\c2cccnc2)C3=O)O1.
What is the InChIKey of (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
The InChIKey is UOWGLVOJIJHWBK-YVNNLAQVSA-N. The full InChI is InChI=1S/C26H17NO5/c28-23-12-19(17-11-16-5-1-2-6-20(16)30-14-17)24-21(31-23)8-7-18-25(29)22(32-26(18)24)10-15-4-3-9-27-13-15/h1-11,13,19H,12,14H2/b22-10-.
What are the key properties of (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?
(2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 423.42 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-9-(2H-chromen-3-yl)-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 102564953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).