1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene

C27H19I — CID 71418637

IUPAC1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
SMILESCc1cc(-c2cccc3ccccc23)c(I)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C27H19I/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27(28)26(17-18)24-15-7-11-20-9-3-5-13-22(20)24/h2-17H,1H3
InChIKeyAGWAKPIENQYUEY-UHFFFAOYSA-N
MW470.35 g/mol
LogP8.24
Rot. Bonds2

About 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene

1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene (PubChem CID 71418637) has the molecular formula C27H19I and a molecular weight of 470.35 g/mol. Its IUPAC name is 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene.

Molecular Properties

Compound Name1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
PubChem CID71418637
Molecular FormulaC27H19I
Molecular Weight470.35 g/mol
Exact Mass470.05
IUPAC Name1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
SMILESCc1cc(-c2cccc3ccccc23)c(I)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C27H19I/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27(28)26(17-18)24-15-7-11-20-9-3-5-13-22(20)24/h2-17H,1H3
InChIKeyAGWAKPIENQYUEY-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.35
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene?
The IUPAC name of 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene (CID 71418637) is 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene.
What is the SMILES notation for 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene?
The canonical SMILES for 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene is Cc1cc(-c2cccc3ccccc23)c(I)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene?
The InChIKey is AGWAKPIENQYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19I/c1-18-16-25(23-14-6-10-19-8-2-4-12-21(19)23)27(28)26(17-18)24-15-7-11-20-9-3-5-13-22(20)24/h2-17H,1H3.
What are the key properties of 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene?
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene has a molecular weight of 470.35 g/mol, XLogP of 8.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene is sourced from PubChem (CID 71418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).