9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole

C25H25NO3 — CID 122182381

IUPAC9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H25NO3/c1-6-26-21-10-8-7-9-19(21)20-13-17(11-12-22(20)26)16(2)18-14-23(27-3)25(29-5)24(15-18)28-4/h7-15H,2,6H2,1,3-5H3
InChIKeyZNWGRJAEUIHQJQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.90
Rot. Bonds6

About 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole

9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (PubChem CID 122182381) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
PubChem CID122182381
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C25H25NO3/c1-6-26-21-10-8-7-9-19(21)20-13-17(11-12-22(20)26)16(2)18-14-23(27-3)25(29-5)24(15-18)28-4/h7-15H,2,6H2,1,3-5H3
InChIKeyZNWGRJAEUIHQJQ-UHFFFAOYSA-N
XLogP5.90
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (CID 122182381) is 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The InChIKey is ZNWGRJAEUIHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-6-26-21-10-8-7-9-19(21)20-13-17(11-12-22(20)26)16(2)18-14-23(27-3)25(29-5)24(15-18)28-4/h7-15H,2,6H2,1,3-5H3.
What are the key properties of 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole has a molecular weight of 387.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is sourced from PubChem (CID 122182381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).