2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole

C20H20FN — CID 126516679

IUPAC2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole
SMILESC=C/C=C\c1c(C)cc2c3cc(F)c(C)cc3n(C)c2c1C
InChIInChI=1S/C20H20FN/c1-6-7-8-15-12(2)9-17-16-11-18(21)13(3)10-19(16)22(5)20(17)14(15)4/h6-11H,1H2,2-5H3/b8-7-
InChIKeyPJSOYJFLEAASNZ-FPLPWBNLSA-N
MW293.38 g/mol
LogP5.60
Rot. Bonds2

About 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole

2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole (PubChem CID 126516679) has the molecular formula C20H20FN and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole
PubChem CID126516679
Molecular FormulaC20H20FN
Molecular Weight293.38 g/mol
Exact Mass293.16
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole
SMILESC=C/C=C\c1c(C)cc2c3cc(F)c(C)cc3n(C)c2c1C
InChIInChI=1S/C20H20FN/c1-6-7-8-15-12(2)9-17-16-11-18(21)13(3)10-19(16)22(5)20(17)14(15)4/h6-11H,1H2,2-5H3/b8-7-
InChIKeyPJSOYJFLEAASNZ-FPLPWBNLSA-N
XLogP5.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.38
LogP ≤ 55.60
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 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole (CID 126516679) is 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole is C=C/C=C\c1c(C)cc2c3cc(F)c(C)cc3n(C)c2c1C.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole?
The InChIKey is PJSOYJFLEAASNZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C20H20FN/c1-6-7-8-15-12(2)9-17-16-11-18(21)13(3)10-19(16)22(5)20(17)14(15)4/h6-11H,1H2,2-5H3/b8-7-.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole?
2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole has a molecular weight of 293.38 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-6-fluoro-1,3,7,9-tetramethylcarbazole is sourced from PubChem (CID 126516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).