9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole

C26H27NO3 — CID 122182382

IUPAC9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole
SMILESC/C=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H27NO3/c1-6-19(18-15-24(28-3)26(30-5)25(16-18)29-4)17-12-13-23-21(14-17)20-10-8-9-11-22(20)27(23)7-2/h6,8-16H,7H2,1-5H3/b19-6+
InChIKeyHCFHRVMHEKGQRL-KPSZGOFPSA-N
MW401.51 g/mol
LogP6.29
Rot. Bonds6

About 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole

9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole (PubChem CID 122182382) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole
PubChem CID122182382
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole
SMILESC/C=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H27NO3/c1-6-19(18-15-24(28-3)26(30-5)25(16-18)29-4)17-12-13-23-21(14-17)20-10-8-9-11-22(20)27(23)7-2/h6,8-16H,7H2,1-5H3/b19-6+
InChIKeyHCFHRVMHEKGQRL-KPSZGOFPSA-N
XLogP6.29
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole (CID 122182382) is 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole is C/C=C(/c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole?
The InChIKey is HCFHRVMHEKGQRL-KPSZGOFPSA-N. The full InChI is InChI=1S/C26H27NO3/c1-6-19(18-15-24(28-3)26(30-5)25(16-18)29-4)17-12-13-23-21(14-17)20-10-8-9-11-22(20)27(23)7-2/h6,8-16H,7H2,1-5H3/b19-6+.
What are the key properties of 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole?
9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole has a molecular weight of 401.51 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-1-(3,4,5-trimethoxyphenyl)prop-1-enyl]carbazole is sourced from PubChem (CID 122182382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).