4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole

C28H23NO2 — CID 88654272

IUPAC4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole
SMILESCOc1ccc(/C=C/c2ccc3[nH]c4ccccc4c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23NO2/c1-30-22-14-8-19(9-15-22)7-10-20-13-18-26-28(24-5-3-4-6-25(24)29-26)27(20)21-11-16-23(31-2)17-12-21/h3-18,29H,1-2H3/b10-7+
InChIKeyBAPVDCJNZOXFKS-JXMROGBWSA-N
MW405.50 g/mol
LogP7.18
Rot. Bonds5

About 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole

4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole (PubChem CID 88654272) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole
PubChem CID88654272
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole
SMILESCOc1ccc(/C=C/c2ccc3[nH]c4ccccc4c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23NO2/c1-30-22-14-8-19(9-15-22)7-10-20-13-18-26-28(24-5-3-4-6-25(24)29-26)27(20)21-11-16-23(31-2)17-12-21/h3-18,29H,1-2H3/b10-7+
InChIKeyBAPVDCJNZOXFKS-JXMROGBWSA-N
XLogP7.18
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole?
The IUPAC name of 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole (CID 88654272) is 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole is COc1ccc(/C=C/c2ccc3[nH]c4ccccc4c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole?
The InChIKey is BAPVDCJNZOXFKS-JXMROGBWSA-N. The full InChI is InChI=1S/C28H23NO2/c1-30-22-14-8-19(9-15-22)7-10-20-13-18-26-28(24-5-3-4-6-25(24)29-26)27(20)21-11-16-23(31-2)17-12-21/h3-18,29H,1-2H3/b10-7+.
What are the key properties of 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole?
4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole has a molecular weight of 405.50 g/mol, XLogP of 7.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]-9H-carbazole is sourced from PubChem (CID 88654272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).