9,10-bis(5-iodopentyl)anthracene

C24H28I2 — CID 87842660

IUPAC9,10-bis(5-iodopentyl)anthracene
SMILESICCCCCc1c2ccccc2c(CCCCCI)c2ccccc12
InChIInChI=1S/C24H28I2/c25-17-9-1-3-11-19-21-13-5-7-15-23(21)20(12-4-2-10-18-26)24-16-8-6-14-22(19)24/h5-8,13-16H,1-4,9-12,17-18H2
InChIKeyGDYFIAMEGDXJCM-UHFFFAOYSA-N
MW570.30 g/mol
LogP8.29
Rot. Bonds10

About 9,10-bis(5-iodopentyl)anthracene

9,10-bis(5-iodopentyl)anthracene (PubChem CID 87842660) has the molecular formula C24H28I2 and a molecular weight of 570.30 g/mol. Its IUPAC name is 9,10-bis(5-iodopentyl)anthracene.

Molecular Properties

Compound Name9,10-bis(5-iodopentyl)anthracene
PubChem CID87842660
Molecular FormulaC24H28I2
Molecular Weight570.30 g/mol
Exact Mass570.03
IUPAC Name9,10-bis(5-iodopentyl)anthracene
SMILESICCCCCc1c2ccccc2c(CCCCCI)c2ccccc12
InChIInChI=1S/C24H28I2/c25-17-9-1-3-11-19-21-13-5-7-15-23(21)20(12-4-2-10-18-26)24-16-8-6-14-22(19)24/h5-8,13-16H,1-4,9-12,17-18H2
InChIKeyGDYFIAMEGDXJCM-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.30
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(5-iodopentyl)anthracene?
The IUPAC name of 9,10-bis(5-iodopentyl)anthracene (CID 87842660) is 9,10-bis(5-iodopentyl)anthracene.
What is the SMILES notation for 9,10-bis(5-iodopentyl)anthracene?
The canonical SMILES for 9,10-bis(5-iodopentyl)anthracene is ICCCCCc1c2ccccc2c(CCCCCI)c2ccccc12.
What is the InChIKey of 9,10-bis(5-iodopentyl)anthracene?
The InChIKey is GDYFIAMEGDXJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28I2/c25-17-9-1-3-11-19-21-13-5-7-15-23(21)20(12-4-2-10-18-26)24-16-8-6-14-22(19)24/h5-8,13-16H,1-4,9-12,17-18H2.
What are the key properties of 9,10-bis(5-iodopentyl)anthracene?
9,10-bis(5-iodopentyl)anthracene has a molecular weight of 570.30 g/mol, XLogP of 8.29, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(5-iodopentyl)anthracene is sourced from PubChem (CID 87842660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).