(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile

C26H21NO3 — CID 91006415

IUPAC(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile
SMILESCC1=C/C(=C(\C)C#N)C=C(C=C2C=C(C)c3ccc(Oc4ccccc4)cc3O2)O1
InChIInChI=1S/C26H21NO3/c1-17-11-23(14-24-13-20(18(2)16-27)12-19(3)28-24)30-26-15-22(9-10-25(17)26)29-21-7-5-4-6-8-21/h4-15H,1-3H3/b20-18-,23-14?
InChIKeyYTMAPFWHTKORAR-ICKMXYFOSA-N
MW395.46 g/mol
LogP6.82
Rot. Bonds3

About (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile

(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile (PubChem CID 91006415) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile.

Molecular Properties

Compound Name(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile
PubChem CID91006415
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile
SMILESCC1=C/C(=C(\C)C#N)C=C(C=C2C=C(C)c3ccc(Oc4ccccc4)cc3O2)O1
InChIInChI=1S/C26H21NO3/c1-17-11-23(14-24-13-20(18(2)16-27)12-19(3)28-24)30-26-15-22(9-10-25(17)26)29-21-7-5-4-6-8-21/h4-15H,1-3H3/b20-18-,23-14?
InChIKeyYTMAPFWHTKORAR-ICKMXYFOSA-N
XLogP6.82
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile with MolForge

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Related Compounds

2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-(2,4,6-trimethylphenyl)pyran-4-ylidene]propanenitrile
CID 59032448
(2Z)-2-(7-ethoxy-4-methylchromen-2-ylidene)-1-phenylethanone
CID 23569993
2-[2-[[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-phenylpyran-4-ylidene]-1,3-diphenylpropane-1,3-dione
CID 72594718
2-[2-[(E)-2-[2-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 87348175
(2Z)-5-chloro-6-methyl-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]indene-1,3-dione;(2E)-2-[2-[(E)-[7-(diethylamino)-4-methylchromen-2-ylidene]methyl]-6-methylpyran-4-ylidene]propanenitrile;2-[2-[(E)-(4,9-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]quinolin-2-ylidene)methyl]-6-methylpyran-4-ylidene]indene-1,3-dione;4-[2-methyl-6-[(E)-[4-methyl-7-(N-phenylanilino)chromen-2-ylidene]methyl]pyran-4-ylidene]-1,2-diphenylpyrazolidine-3,5-dione;(2E)-2-[2-methyl-6-[(E)-(6,10,10,16,16-pentamethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-ylidene)methyl]pyran-4-ylidene]propanenitrile
CID 158437450
2-methyl-5-phenoxybenzonitrile
CID 156815306
4-phenoxybenzoyl cyanide
CID 20510497
5-phenoxy-1,3-benzodioxole-2-thione
CID 86164143
2-[2-[(E)-2-[4-[bis(2-hydroxyethyl)amino]-2-(4-phenylphenyl)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 101491322
2-[1-(dimethylamino)-3-(4-phenoxyanilino)prop-2-enylidene]propanedinitrile
CID 1470987
2-[2-[(E)-2-[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
CID 138500579
2-[[3-(4-methylphenoxy)phenyl]methylidene]propanedinitrile
CID 155550011

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The IUPAC name of (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile (CID 91006415) is (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile.
What is the SMILES notation for (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The canonical SMILES for (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile is CC1=C/C(=C(\C)C#N)C=C(C=C2C=C(C)c3ccc(Oc4ccccc4)cc3O2)O1.
What is the InChIKey of (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile?
The InChIKey is YTMAPFWHTKORAR-ICKMXYFOSA-N. The full InChI is InChI=1S/C26H21NO3/c1-17-11-23(14-24-13-20(18(2)16-27)12-19(3)28-24)30-26-15-22(9-10-25(17)26)29-21-7-5-4-6-8-21/h4-15H,1-3H3/b20-18-,23-14?.
What are the key properties of (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile?
(2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile has a molecular weight of 395.46 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-methyl-6-[(4-methyl-7-phenoxychromen-2-ylidene)methyl]pyran-4-ylidene]propanenitrile is sourced from PubChem (CID 91006415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).