3-iodo-1-naphthalen-1-ylnaphthalene

C20H13I — CID 141152728

IUPAC3-iodo-1-naphthalen-1-ylnaphthalene
SMILESIc1cc(-c2cccc3ccccc23)c2ccccc2c1
InChIInChI=1S/C20H13I/c21-16-12-15-7-2-4-10-18(15)20(13-16)19-11-5-8-14-6-1-3-9-17(14)19/h1-13H
InChIKeyIMNXINUSNSIRMF-UHFFFAOYSA-N
MW380.23 g/mol
LogP6.26
Rot. Bonds1

About 3-iodo-1-naphthalen-1-ylnaphthalene

3-iodo-1-naphthalen-1-ylnaphthalene (PubChem CID 141152728) has the molecular formula C20H13I and a molecular weight of 380.23 g/mol. Its IUPAC name is 3-iodo-1-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name3-iodo-1-naphthalen-1-ylnaphthalene
PubChem CID141152728
Molecular FormulaC20H13I
Molecular Weight380.23 g/mol
Exact Mass380.01
IUPAC Name3-iodo-1-naphthalen-1-ylnaphthalene
SMILESIc1cc(-c2cccc3ccccc23)c2ccccc2c1
InChIInChI=1S/C20H13I/c21-16-12-15-7-2-4-10-18(15)20(13-16)19-11-5-8-14-6-1-3-9-17(14)19/h1-13H
InChIKeyIMNXINUSNSIRMF-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.23
LogP ≤ 56.26
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-naphthalen-1-ylphenanthrene
CID 20606742
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
6-naphthalen-1-ylbenzo[c]phenanthrene
CID 123608674
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-naphthalen-1-ylnaphthalene?
The IUPAC name of 3-iodo-1-naphthalen-1-ylnaphthalene (CID 141152728) is 3-iodo-1-naphthalen-1-ylnaphthalene.
What is the SMILES notation for 3-iodo-1-naphthalen-1-ylnaphthalene?
The canonical SMILES for 3-iodo-1-naphthalen-1-ylnaphthalene is Ic1cc(-c2cccc3ccccc23)c2ccccc2c1.
What is the InChIKey of 3-iodo-1-naphthalen-1-ylnaphthalene?
The InChIKey is IMNXINUSNSIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13I/c21-16-12-15-7-2-4-10-18(15)20(13-16)19-11-5-8-14-6-1-3-9-17(14)19/h1-13H.
What are the key properties of 3-iodo-1-naphthalen-1-ylnaphthalene?
3-iodo-1-naphthalen-1-ylnaphthalene has a molecular weight of 380.23 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 141152728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).