6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene

C26H25I — CID 70999790

IUPAC6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc4cc(I)ccc4c3)ccc2c1CCC
InChIInChI=1S/C26H25I/c1-3-5-18-7-10-23-16-21(12-14-26(23)25(18)6-4-2)19-8-9-22-17-24(27)13-11-20(22)15-19/h7-17H,3-6H2,1-2H3
InChIKeyXGBFCUVWSDBWMP-UHFFFAOYSA-N
MW464.39 g/mol
LogP8.17
Rot. Bonds5

About 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene

6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene (PubChem CID 70999790) has the molecular formula C26H25I and a molecular weight of 464.39 g/mol. Its IUPAC name is 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene.

Molecular Properties

Compound Name6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
PubChem CID70999790
Molecular FormulaC26H25I
Molecular Weight464.39 g/mol
Exact Mass464.10
IUPAC Name6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
SMILESCCCc1ccc2cc(-c3ccc4cc(I)ccc4c3)ccc2c1CCC
InChIInChI=1S/C26H25I/c1-3-5-18-7-10-23-16-21(12-14-26(23)25(18)6-4-2)19-8-9-22-17-24(27)13-11-20(22)15-19/h7-17H,3-6H2,1-2H3
InChIKeyXGBFCUVWSDBWMP-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 58.17
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 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene?
The IUPAC name of 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene (CID 70999790) is 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene.
What is the SMILES notation for 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene?
The canonical SMILES for 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene is CCCc1ccc2cc(-c3ccc4cc(I)ccc4c3)ccc2c1CCC.
What is the InChIKey of 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene?
The InChIKey is XGBFCUVWSDBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25I/c1-3-5-18-7-10-23-16-21(12-14-26(23)25(18)6-4-2)19-8-9-22-17-24(27)13-11-20(22)15-19/h7-17H,3-6H2,1-2H3.
What are the key properties of 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene?
6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene has a molecular weight of 464.39 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene is sourced from PubChem (CID 70999790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).