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

C24H23NO3 — CID 155517742

IUPAC9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C24H23NO3/c1-15(17-13-22(26-3)24(28-5)23(14-17)27-4)16-10-11-21-19(12-16)18-8-6-7-9-20(18)25(21)2/h6-14H,1H2,2-5H3
InChIKeyADRBCSXYOHVPTR-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.42
Rot. Bonds5

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

9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (PubChem CID 155517742) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
PubChem CID155517742
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESC=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2C
InChIInChI=1S/C24H23NO3/c1-15(17-13-22(26-3)24(28-5)23(14-17)27-4)16-10-11-21-19(12-16)18-8-6-7-9-20(18)25(21)2/h6-14H,1H2,2-5H3
InChIKeyADRBCSXYOHVPTR-UHFFFAOYSA-N
XLogP5.42
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The IUPAC name of 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (CID 155517742) is 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The canonical SMILES for 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is C=C(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(c1)c1ccccc1n2C.
What is the InChIKey of 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The InChIKey is ADRBCSXYOHVPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-15(17-13-22(26-3)24(28-5)23(14-17)27-4)16-10-11-21-19(12-16)18-8-6-7-9-20(18)25(21)2/h6-14H,1H2,2-5H3.
What are the key properties of 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole has a molecular weight of 373.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is sourced from PubChem (CID 155517742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).