9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole

C25H21F2NO — CID 58282046

IUPAC9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole
SMILESC=C(F)/C(F)=C/COc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H21F2NO/c1-16-4-10-24-21(14-16)22-15-17(2)5-11-25(22)28(24)19-6-8-20(9-7-19)29-13-12-23(27)18(3)26/h4-12,14-15H,3,13H2,1-2H3/b23-12-
InChIKeyQFYLFBRRPMSHEH-FMCGGJTJSA-N
MW389.45 g/mol
LogP7.12
Rot. Bonds5

About 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole

9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole (PubChem CID 58282046) has the molecular formula C25H21F2NO and a molecular weight of 389.45 g/mol. Its IUPAC name is 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole
PubChem CID58282046
Molecular FormulaC25H21F2NO
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole
SMILESC=C(F)/C(F)=C/COc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H21F2NO/c1-16-4-10-24-21(14-16)22-15-17(2)5-11-25(22)28(24)19-6-8-20(9-7-19)29-13-12-23(27)18(3)26/h4-12,14-15H,3,13H2,1-2H3/b23-12-
InChIKeyQFYLFBRRPMSHEH-FMCGGJTJSA-N
XLogP7.12
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole (CID 58282046) is 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole is C=C(F)/C(F)=C/COc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.
What is the InChIKey of 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole?
The InChIKey is QFYLFBRRPMSHEH-FMCGGJTJSA-N. The full InChI is InChI=1S/C25H21F2NO/c1-16-4-10-24-21(14-16)22-15-17(2)5-11-25(22)28(24)19-6-8-20(9-7-19)29-13-12-23(27)18(3)26/h4-12,14-15H,3,13H2,1-2H3/b23-12-.
What are the key properties of 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole?
9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole has a molecular weight of 389.45 g/mol, XLogP of 7.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 58282046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).