11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole

C25H21F2NO2 — CID 162665243

IUPAC11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cc(F)ccc1F)C=CC(C)(C)O3
InChIInChI=1S/C25H21F2NO2/c1-25(2)11-10-19-23(30-25)9-6-18-20-13-17(29-3)5-8-22(20)28(24(18)19)14-15-12-16(26)4-7-21(15)27/h4-13H,14H2,1-3H3
InChIKeyWURMYUIBTFYQSU-UHFFFAOYSA-N
MW405.44 g/mol
LogP6.31
Rot. Bonds3

About 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole

11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole (PubChem CID 162665243) has the molecular formula C25H21F2NO2 and a molecular weight of 405.44 g/mol. Its IUPAC name is 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole.

Molecular Properties

Compound Name11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
PubChem CID162665243
Molecular FormulaC25H21F2NO2
Molecular Weight405.44 g/mol
Exact Mass405.15
IUPAC Name11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole
SMILESCOc1ccc2c(c1)c1ccc3c(c1n2Cc1cc(F)ccc1F)C=CC(C)(C)O3
InChIInChI=1S/C25H21F2NO2/c1-25(2)11-10-19-23(30-25)9-6-18-20-13-17(29-3)5-8-22(20)28(24(18)19)14-15-12-16(26)4-7-21(15)27/h4-13H,14H2,1-3H3
InChIKeyWURMYUIBTFYQSU-UHFFFAOYSA-N
XLogP6.31
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The IUPAC name of 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole (CID 162665243) is 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole.
What is the SMILES notation for 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The canonical SMILES for 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole is COc1ccc2c(c1)c1ccc3c(c1n2Cc1cc(F)ccc1F)C=CC(C)(C)O3.
What is the InChIKey of 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
The InChIKey is WURMYUIBTFYQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO2/c1-25(2)11-10-19-23(30-25)9-6-18-20-13-17(29-3)5-8-22(20)28(24(18)19)14-15-12-16(26)4-7-21(15)27/h4-13H,14H2,1-3H3.
What are the key properties of 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole?
11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole has a molecular weight of 405.44 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2,5-difluorophenyl)methyl]-8-methoxy-3,3-dimethylpyrano[3,2-a]carbazole is sourced from PubChem (CID 162665243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).