9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole

C30H26FNO — CID 10550861

IUPAC9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole
SMILESCC(C)(C)Oc1ccc(/C=C(/c2ccc(F)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H26FNO/c1-30(2,3)33-24-18-12-21(13-19-24)20-29(22-14-16-23(31)17-15-22)32-27-10-6-4-8-25(27)26-9-5-7-11-28(26)32/h4-20H,1-3H3/b29-20-
InChIKeyVIBFCDAXMNBJGX-BRPDVVIDSA-N
MW435.54 g/mol
LogP8.16
Rot. Bonds4

About 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole

9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole (PubChem CID 10550861) has the molecular formula C30H26FNO and a molecular weight of 435.54 g/mol. Its IUPAC name is 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole.

Molecular Properties

Compound Name9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole
PubChem CID10550861
Molecular FormulaC30H26FNO
Molecular Weight435.54 g/mol
Exact Mass435.20
IUPAC Name9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole
SMILESCC(C)(C)Oc1ccc(/C=C(/c2ccc(F)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C30H26FNO/c1-30(2,3)33-24-18-12-21(13-19-24)20-29(22-14-16-23(31)17-15-22)32-27-10-6-4-8-25(27)26-9-5-7-11-28(26)32/h4-20H,1-3H3/b29-20-
InChIKeyVIBFCDAXMNBJGX-BRPDVVIDSA-N
XLogP8.16
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 21129
CID 21129
CID 46855214
CID 46855214
CID 3133120
CID 3133120
CID 10068070
CID 10068070
CID 44126325
CID 44126325
CID 44351103
CID 44351103
CID 46225027
CID 46225027
CID 3824745
CID 3824745
CID 4351158
CID 4351158
CID 10322402
CID 10322402
CID 10382508
CID 10382508
CID 10405482
CID 10405482

Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole?
The IUPAC name of 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole (CID 10550861) is 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole.
What is the SMILES notation for 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole?
The canonical SMILES for 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole is CC(C)(C)Oc1ccc(/C=C(/c2ccc(F)cc2)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole?
The InChIKey is VIBFCDAXMNBJGX-BRPDVVIDSA-N. The full InChI is InChI=1S/C30H26FNO/c1-30(2,3)33-24-18-12-21(13-19-24)20-29(22-14-16-23(31)17-15-22)32-27-10-6-4-8-25(27)26-9-5-7-11-28(26)32/h4-20H,1-3H3/b29-20-.
What are the key properties of 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole?
9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole has a molecular weight of 435.54 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-1-(4-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]carbazole is sourced from PubChem (CID 10550861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).