(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile

C24H15N3O — CID 167465111

IUPAC(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile
SMILESC/C=C/C1=C/C(=C(/C#N)C(=C(C#N)C#N)c2ccccc2)c2ccccc2O1
InChIInChI=1S/C24H15N3O/c1-2-8-19-13-21(20-11-6-7-12-23(20)28-19)22(16-27)24(18(14-25)15-26)17-9-4-3-5-10-17/h2-13H,1H3/b8-2+,22-21+
InChIKeyGZYHOTXDGUQOMG-VUZPBRKYSA-N
MW361.40 g/mol
LogP5.32
Rot. Bonds3

About (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile

(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile (PubChem CID 167465111) has the molecular formula C24H15N3O and a molecular weight of 361.40 g/mol. Its IUPAC name is (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile.

Molecular Properties

Compound Name(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile
PubChem CID167465111
Molecular FormulaC24H15N3O
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile
SMILESC/C=C/C1=C/C(=C(/C#N)C(=C(C#N)C#N)c2ccccc2)c2ccccc2O1
InChIInChI=1S/C24H15N3O/c1-2-8-19-13-21(20-11-6-7-12-23(20)28-19)22(16-27)24(18(14-25)15-26)17-9-4-3-5-10-17/h2-13H,1H3/b8-2+,22-21+
InChIKeyGZYHOTXDGUQOMG-VUZPBRKYSA-N
XLogP5.32
TPSA80.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[4-(dimethylamino)phenyl]ethenyl]chromen-4-ylidene]propanedinitrile
CID 91995002
(2E)-2-isocyano-2-[2-[(E)-3-methylbut-1-enyl]chromen-4-ylidene]acetonitrile
CID 153467380
(2E)-3-oxo-3-phenyl-2-[2-[(E)-prop-1-enyl]thiochromen-4-ylidene]propanenitrile
CID 167465053
ethyl (2Z)-2-cyano-2-(2-methylchromen-4-ylidene)acetate
CID 177497164
(2Z)-2-(2-ethenylchromen-4-ylidene)-2-(4-nitrophenyl)acetonitrile
CID 167465137
2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
2-[6,7-dimethyl-2-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]chromen-4-ylidene]propanedinitrile
CID 101254090
2-phenyl-3-[4-[[4-(N-phenylanilino)phenyl]diazenyl]phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 101379213
[(E)-1-[2-[(Z)-prop-1-enyl]phenyl]prop-1-enyl] cyanate
CID 144507907
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
2-[2-bromo-3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile
CID 3709213
4-oxo-2-phenylpent-2-enenitrile
CID 91279412

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile?
The IUPAC name of (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile (CID 167465111) is (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile.
What is the SMILES notation for (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile?
The canonical SMILES for (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile is C/C=C/C1=C/C(=C(/C#N)C(=C(C#N)C#N)c2ccccc2)c2ccccc2O1.
What is the InChIKey of (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile?
The InChIKey is GZYHOTXDGUQOMG-VUZPBRKYSA-N. The full InChI is InChI=1S/C24H15N3O/c1-2-8-19-13-21(20-11-6-7-12-23(20)28-19)22(16-27)24(18(14-25)15-26)17-9-4-3-5-10-17/h2-13H,1H3/b8-2+,22-21+.
What are the key properties of (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile?
(3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile has a molecular weight of 361.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-phenyl-3-[2-[(E)-prop-1-enyl]chromen-4-ylidene]prop-1-ene-1,1,3-tricarbonitrile is sourced from PubChem (CID 167465111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).