2,4-diiodo-1-phenylnaphthalene

C16H10I2 — CID 138966123

IUPAC2,4-diiodo-1-phenylnaphthalene
SMILESIc1cc(I)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H10I2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H
InChIKeySHQPZOZIWDMWGK-UHFFFAOYSA-N
MW456.06 g/mol
LogP5.72
Rot. Bonds1

About 2,4-diiodo-1-phenylnaphthalene

2,4-diiodo-1-phenylnaphthalene (PubChem CID 138966123) has the molecular formula C16H10I2 and a molecular weight of 456.06 g/mol. Its IUPAC name is 2,4-diiodo-1-phenylnaphthalene.

Molecular Properties

Compound Name2,4-diiodo-1-phenylnaphthalene
PubChem CID138966123
Molecular FormulaC16H10I2
Molecular Weight456.06 g/mol
Exact Mass455.89
IUPAC Name2,4-diiodo-1-phenylnaphthalene
SMILESIc1cc(I)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C16H10I2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H
InChIKeySHQPZOZIWDMWGK-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.06
LogP ≤ 55.72
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

9-iodo-10-phenylanthracene
CID 14958373
1-chloro-3-iodo-2-phenylnaphthalene
CID 141394667
1-iodo-10-phenylanthracene
CID 141156342
8,9-diiodo-1,2,3,4,6,11-hexakis-phenyl-5,12-dihydrotetracene
CID 134887675
2-bromo-9,10-diphenylanthracene
CID 22247163
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
2-bromo-4-fluoro-1-phenylnaphthalene
CID 86191428
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-1-phenylnaphthalene?
The IUPAC name of 2,4-diiodo-1-phenylnaphthalene (CID 138966123) is 2,4-diiodo-1-phenylnaphthalene.
What is the SMILES notation for 2,4-diiodo-1-phenylnaphthalene?
The canonical SMILES for 2,4-diiodo-1-phenylnaphthalene is Ic1cc(I)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2,4-diiodo-1-phenylnaphthalene?
The InChIKey is SHQPZOZIWDMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10I2/c17-14-10-15(18)16(11-6-2-1-3-7-11)13-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 2,4-diiodo-1-phenylnaphthalene?
2,4-diiodo-1-phenylnaphthalene has a molecular weight of 456.06 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-1-phenylnaphthalene is sourced from PubChem (CID 138966123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).