9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole

C24H23NO3 — CID 122197362

IUPAC9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESCOc1cc(/C=C/c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC
InChIInChI=1S/C24H23NO3/c1-25-20-8-6-5-7-18(20)19-13-16(11-12-21(19)25)9-10-17-14-22(26-2)24(28-4)23(15-17)27-3/h5-15H,1-4H3/b10-9+
InChIKeyVNUUJTWVEXKSOB-MDZDMXLPSA-N
MW373.45 g/mol
LogP5.53
Rot. Bonds5

About 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole

9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (PubChem CID 122197362) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
PubChem CID122197362
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole
SMILESCOc1cc(/C=C/c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC
InChIInChI=1S/C24H23NO3/c1-25-20-8-6-5-7-18(20)19-13-16(11-12-21(19)25)9-10-17-14-22(26-2)24(28-4)23(15-17)27-3/h5-15H,1-4H3/b10-9+
InChIKeyVNUUJTWVEXKSOB-MDZDMXLPSA-N
XLogP5.53
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 ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The IUPAC name of 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole (CID 122197362) is 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole.
What is the SMILES notation for 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The canonical SMILES for 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is COc1cc(/C=C/c2ccc3c(c2)c2ccccc2n3C)cc(OC)c1OC.
What is the InChIKey of 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
The InChIKey is VNUUJTWVEXKSOB-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25-20-8-6-5-7-18(20)19-13-16(11-12-21(19)25)9-10-17-14-22(26-2)24(28-4)23(15-17)27-3/h5-15H,1-4H3/b10-9+.
What are the key properties of 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole?
9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole has a molecular weight of 373.45 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]carbazole is sourced from PubChem (CID 122197362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).