9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole

C22H16FN — CID 53235575

IUPAC9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole
SMILESFc1cccc(/C=C/C=C/n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C22H16FN/c23-18-10-7-9-17(16-18)8-5-6-15-24-21-13-3-1-11-19(21)20-12-2-4-14-22(20)24/h1-16H/b8-5+,15-6+
InChIKeyUDDBKMDEYDOJOE-NVWKQHGVSA-N
MW313.38 g/mol
LogP6.12
Rot. Bonds3

About 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole

9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole (PubChem CID 53235575) has the molecular formula C22H16FN and a molecular weight of 313.38 g/mol. Its IUPAC name is 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole.

Molecular Properties

Compound Name9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole
PubChem CID53235575
Molecular FormulaC22H16FN
Molecular Weight313.38 g/mol
Exact Mass313.13
IUPAC Name9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole
SMILESFc1cccc(/C=C/C=C/n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C22H16FN/c23-18-10-7-9-17(16-18)8-5-6-15-24-21-13-3-1-11-19(21)20-12-2-4-14-22(20)24/h1-16H/b8-5+,15-6+
InChIKeyUDDBKMDEYDOJOE-NVWKQHGVSA-N
XLogP6.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole?
The IUPAC name of 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole (CID 53235575) is 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole.
What is the SMILES notation for 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole?
The canonical SMILES for 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole is Fc1cccc(/C=C/C=C/n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole?
The InChIKey is UDDBKMDEYDOJOE-NVWKQHGVSA-N. The full InChI is InChI=1S/C22H16FN/c23-18-10-7-9-17(16-18)8-5-6-15-24-21-13-3-1-11-19(21)20-12-2-4-14-22(20)24/h1-16H/b8-5+,15-6+.
What are the key properties of 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole?
9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole has a molecular weight of 313.38 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1E,3E)-4-(3-fluorophenyl)buta-1,3-dienyl]carbazole is sourced from PubChem (CID 53235575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).