4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole

C28H23NO2 — CID 42639545

IUPAC4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole
SMILESCOc1ccc(/C=C(\c2ccc(OC)cc2)c2cccc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C28H23NO2/c1-30-21-14-10-19(11-15-21)18-25(20-12-16-22(31-2)17-13-20)23-7-5-9-27-28(23)24-6-3-4-8-26(24)29-27/h3-18,29H,1-2H3/b25-18+
InChIKeyVMGPCTSHJKSBKU-XIEYBQDHSA-N
MW405.50 g/mol
LogP6.93
Rot. Bonds5

About 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole

4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole (PubChem CID 42639545) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole.

Molecular Properties

Compound Name4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole
PubChem CID42639545
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole
SMILESCOc1ccc(/C=C(\c2ccc(OC)cc2)c2cccc3[nH]c4ccccc4c23)cc1
InChIInChI=1S/C28H23NO2/c1-30-21-14-10-19(11-15-21)18-25(20-12-16-22(31-2)17-13-20)23-7-5-9-27-28(23)24-6-3-4-8-26(24)29-27/h3-18,29H,1-2H3/b25-18+
InChIKeyVMGPCTSHJKSBKU-XIEYBQDHSA-N
XLogP6.93
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 ≤ 56.93
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-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole?
The IUPAC name of 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole (CID 42639545) is 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole.
What is the SMILES notation for 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole?
The canonical SMILES for 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole is COc1ccc(/C=C(\c2ccc(OC)cc2)c2cccc3[nH]c4ccccc4c23)cc1.
What is the InChIKey of 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole?
The InChIKey is VMGPCTSHJKSBKU-XIEYBQDHSA-N. The full InChI is InChI=1S/C28H23NO2/c1-30-21-14-10-19(11-15-21)18-25(20-12-16-22(31-2)17-13-20)23-7-5-9-27-28(23)24-6-3-4-8-26(24)29-27/h3-18,29H,1-2H3/b25-18+.
What are the key properties of 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole?
4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole has a molecular weight of 405.50 g/mol, XLogP of 6.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-bis(4-methoxyphenyl)ethenyl]-9H-carbazole is sourced from PubChem (CID 42639545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).