(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole

C26H20FN — CID 134271752

IUPAC(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole
SMILESC=C/C(=C\C=c1/c(=C)n(-c2ccccc2)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H20FN/c1-3-20(21-10-9-11-22(27)18-21)16-17-24-19(2)28(23-12-5-4-6-13-23)26-15-8-7-14-25(24)26/h3-18H,1-2H2/b20-16+,24-17+
InChIKeyGTGIRRBHADLUFO-LHQWZPQHSA-N
MW365.45 g/mol
LogP5.23
Rot. Bonds4

About (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole

(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole (PubChem CID 134271752) has the molecular formula C26H20FN and a molecular weight of 365.45 g/mol. Its IUPAC name is (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole.

Molecular Properties

Compound Name(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole
PubChem CID134271752
Molecular FormulaC26H20FN
Molecular Weight365.45 g/mol
Exact Mass365.16
IUPAC Name(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole
SMILESC=C/C(=C\C=c1/c(=C)n(-c2ccccc2)c2ccccc12)c1cccc(F)c1
InChIInChI=1S/C26H20FN/c1-3-20(21-10-9-11-22(27)18-21)16-17-24-19(2)28(23-12-5-4-6-13-23)26-15-8-7-14-25(24)26/h3-18H,1-2H2/b20-16+,24-17+
InChIKeyGTGIRRBHADLUFO-LHQWZPQHSA-N
XLogP5.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3E)-hexa-1,3,5-trien-3-yl]-9-phenyl-6-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 142521124
(2E)-3-methylidene-2-[(E)-3-(3-methylphenyl)but-2-enylidene]-1-phenylindole
CID 155027298
[6-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylcarbazol-3-yl]boronic acid
CID 177036038
3-[9-[(2E,4E)-5-phenylhepta-2,4,6-trien-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 155119518
N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline
CID 58536424
9-[4-[4-[6-[(3E)-hexa-1,3,5-trien-3-yl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144512043
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
15-(3-fluorophenyl)-4,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965396
9-[3-[(2E,4Z)-6-carbazol-9-ylhepta-2,4,6-trien-2-yl]phenyl]carbazole
CID 146541574
3-[(3E)-hexa-1,3,5-trien-3-yl]benzoic acid
CID 118859642
ethane;3-[2-ethenyl-1-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-phenylcarbazole
CID 177063270
2-[4-[(3E)-hexa-1,3,5-trien-3-yl]benzo[a]anthracen-7-yl]-5-phenylphenanthridin-6-one
CID 142363169

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole?
The IUPAC name of (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole (CID 134271752) is (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole.
What is the SMILES notation for (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole?
The canonical SMILES for (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole is C=C/C(=C\C=c1/c(=C)n(-c2ccccc2)c2ccccc12)c1cccc(F)c1.
What is the InChIKey of (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole?
The InChIKey is GTGIRRBHADLUFO-LHQWZPQHSA-N. The full InChI is InChI=1S/C26H20FN/c1-3-20(21-10-9-11-22(27)18-21)16-17-24-19(2)28(23-12-5-4-6-13-23)26-15-8-7-14-25(24)26/h3-18H,1-2H2/b20-16+,24-17+.
What are the key properties of (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole?
(3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole has a molecular weight of 365.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2E)-3-(3-fluorophenyl)penta-2,4-dienylidene]-2-methylidene-1-phenylindole is sourced from PubChem (CID 134271752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).