2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile

C26H19N3 — CID 102262296

IUPAC2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
SMILESCCn1c2ccccc2c2cc(/C=C/C(=C(C#N)C#N)c3ccccc3)ccc21
InChIInChI=1S/C26H19N3/c1-2-29-25-11-7-6-10-23(25)24-16-19(13-15-26(24)29)12-14-22(21(17-27)18-28)20-8-4-3-5-9-20/h3-16H,2H2,1H3/b14-12+
InChIKeyHECCGTCOZNVJSN-WYMLVPIESA-N
MW373.46 g/mol
LogP6.33
Rot. Bonds4

About 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile

2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile (PubChem CID 102262296) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
PubChem CID102262296
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile
SMILESCCn1c2ccccc2c2cc(/C=C/C(=C(C#N)C#N)c3ccccc3)ccc21
InChIInChI=1S/C26H19N3/c1-2-29-25-11-7-6-10-23(25)24-16-19(13-15-26(24)29)12-14-22(21(17-27)18-28)20-8-4-3-5-9-20/h3-16H,2H2,1H3/b14-12+
InChIKeyHECCGTCOZNVJSN-WYMLVPIESA-N
XLogP6.33
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
2-[(E)-1-(9-butylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enylidene]propanedinitrile
CID 139204547
[[(1E,4E)-1,5-bis(9-ethylcarbazol-3-yl)penta-1,4-dien-3-ylidene]amino] benzoate
CID 156769873
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(Z)-3-(2-cyano-9-ethylcarbazol-3-yl)prop-2-enoic acid
CID 175282763
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
(E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enethioamide
CID 101167613
(E)-2-(benzenesulfonyl)-3-(9-ethylcarbazol-3-yl)prop-2-enenitrile
CID 2208030
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200
2-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]propanedinitrile
CID 911528
2-[3-(2-cyanoethenyl)carbazol-9-yl]acetic acid
CID 76652102

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile?
The IUPAC name of 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile (CID 102262296) is 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile.
What is the SMILES notation for 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile?
The canonical SMILES for 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile is CCn1c2ccccc2c2cc(/C=C/C(=C(C#N)C#N)c3ccccc3)ccc21.
What is the InChIKey of 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile?
The InChIKey is HECCGTCOZNVJSN-WYMLVPIESA-N. The full InChI is InChI=1S/C26H19N3/c1-2-29-25-11-7-6-10-23(25)24-16-19(13-15-26(24)29)12-14-22(21(17-27)18-28)20-8-4-3-5-9-20/h3-16H,2H2,1H3/b14-12+.
What are the key properties of 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile?
2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile has a molecular weight of 373.46 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(9-ethylcarbazol-3-yl)-1-phenylprop-2-enylidene]propanedinitrile is sourced from PubChem (CID 102262296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).