(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran

C30H23IO — CID 11191718

IUPAC(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran
SMILESCC1(c2ccccc2)O/C(=C(\I)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H23IO/c1-30(25-20-12-5-13-21-25)27(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)29(32-30)28(31)24-18-10-4-11-19-24/h2-21H,1H3/b29-28-
InChIKeyUKOBAQKQMCLJFL-ZIADKAODSA-N
MW526.42 g/mol
LogP8.35
Rot. Bonds4

About (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran

(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran (PubChem CID 11191718) has the molecular formula C30H23IO and a molecular weight of 526.42 g/mol. Its IUPAC name is (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran.

Molecular Properties

Compound Name(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran
PubChem CID11191718
Molecular FormulaC30H23IO
Molecular Weight526.42 g/mol
Exact Mass526.08
IUPAC Name(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran
SMILESCC1(c2ccccc2)O/C(=C(\I)c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C30H23IO/c1-30(25-20-12-5-13-21-25)27(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)29(32-30)28(31)24-18-10-4-11-19-24/h2-21H,1H3/b29-28-
InChIKeyUKOBAQKQMCLJFL-ZIADKAODSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.42
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran?
The IUPAC name of (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran (CID 11191718) is (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran.
What is the SMILES notation for (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran?
The canonical SMILES for (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran is CC1(c2ccccc2)O/C(=C(\I)c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran?
The InChIKey is UKOBAQKQMCLJFL-ZIADKAODSA-N. The full InChI is InChI=1S/C30H23IO/c1-30(25-20-12-5-13-21-25)27(23-16-8-3-9-17-23)26(22-14-6-2-7-15-22)29(32-30)28(31)24-18-10-4-11-19-24/h2-21H,1H3/b29-28-.
What are the key properties of (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran?
(5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran has a molecular weight of 526.42 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[iodo(phenyl)methylidene]-2-methyl-2,3,4-triphenylfuran is sourced from PubChem (CID 11191718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).