(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene

C24H18I2 — CID 102480003

IUPAC(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene
SMILESI/C(=C1/Cc2ccccc2C/C1=C(/I)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18I2/c25-23(17-9-3-1-4-10-17)21-15-19-13-7-8-14-20(19)16-22(21)24(26)18-11-5-2-6-12-18/h1-14H,15-16H2/b23-21-,24-22-
InChIKeyPUPLGQPRGVHJNH-SXAUZNKPSA-N
MW560.22 g/mol
LogP7.48
Rot. Bonds2

About (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene

(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene (PubChem CID 102480003) has the molecular formula C24H18I2 and a molecular weight of 560.22 g/mol. Its IUPAC name is (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene
PubChem CID102480003
Molecular FormulaC24H18I2
Molecular Weight560.22 g/mol
Exact Mass559.95
IUPAC Name(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene
SMILESI/C(=C1/Cc2ccccc2C/C1=C(/I)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18I2/c25-23(17-9-3-1-4-10-17)21-15-19-13-7-8-14-20(19)16-22(21)24(26)18-11-5-2-6-12-18/h1-14H,15-16H2/b23-21-,24-22-
InChIKeyPUPLGQPRGVHJNH-SXAUZNKPSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.22
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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5,8,13,14-tetrahydropentaphene
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CID 12505640
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[(3Z)-2-iodopenta-1,3-dien-3-yl]benzene
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CID 145242652

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene?
The IUPAC name of (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene (CID 102480003) is (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene.
What is the SMILES notation for (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene?
The canonical SMILES for (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene is I/C(=C1/Cc2ccccc2C/C1=C(/I)c1ccccc1)c1ccccc1.
What is the InChIKey of (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene?
The InChIKey is PUPLGQPRGVHJNH-SXAUZNKPSA-N. The full InChI is InChI=1S/C24H18I2/c25-23(17-9-3-1-4-10-17)21-15-19-13-7-8-14-20(19)16-22(21)24(26)18-11-5-2-6-12-18/h1-14H,15-16H2/b23-21-,24-22-.
What are the key properties of (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene?
(2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene has a molecular weight of 560.22 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2,3-bis[iodo(phenyl)methylidene]-1,4-dihydronaphthalene is sourced from PubChem (CID 102480003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).