5-iodo-1,4-dinaphthalen-1-ylnaphthalene

C30H19I — CID 145347874

IUPAC5-iodo-1,4-dinaphthalen-1-ylnaphthalene
SMILESIc1cccc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C30H19I/c31-29-17-7-16-27-26(24-14-5-10-20-8-1-3-12-22(20)24)18-19-28(30(27)29)25-15-6-11-21-9-2-4-13-23(21)25/h1-19H
InChIKeyOHVKOAWVYWIYDI-UHFFFAOYSA-N
MW506.39 g/mol
LogP9.08
Rot. Bonds2

About 5-iodo-1,4-dinaphthalen-1-ylnaphthalene

5-iodo-1,4-dinaphthalen-1-ylnaphthalene (PubChem CID 145347874) has the molecular formula C30H19I and a molecular weight of 506.39 g/mol. Its IUPAC name is 5-iodo-1,4-dinaphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name5-iodo-1,4-dinaphthalen-1-ylnaphthalene
PubChem CID145347874
Molecular FormulaC30H19I
Molecular Weight506.39 g/mol
Exact Mass506.05
IUPAC Name5-iodo-1,4-dinaphthalen-1-ylnaphthalene
SMILESIc1cccc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C30H19I/c31-29-17-7-16-27-26(24-14-5-10-20-8-1-3-12-22(20)24)18-19-28(30(27)29)25-15-6-11-21-9-2-4-13-23(21)25/h1-19H
InChIKeyOHVKOAWVYWIYDI-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.39
LogP ≤ 59.08
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

1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
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-(1,5-dinaphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 143933798
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
3-iodo-1-naphthalen-1-ylnaphthalene
CID 141152728

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,4-dinaphthalen-1-ylnaphthalene?
The IUPAC name of 5-iodo-1,4-dinaphthalen-1-ylnaphthalene (CID 145347874) is 5-iodo-1,4-dinaphthalen-1-ylnaphthalene.
What is the SMILES notation for 5-iodo-1,4-dinaphthalen-1-ylnaphthalene?
The canonical SMILES for 5-iodo-1,4-dinaphthalen-1-ylnaphthalene is Ic1cccc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c12.
What is the InChIKey of 5-iodo-1,4-dinaphthalen-1-ylnaphthalene?
The InChIKey is OHVKOAWVYWIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19I/c31-29-17-7-16-27-26(24-14-5-10-20-8-1-3-12-22(20)24)18-19-28(30(27)29)25-15-6-11-21-9-2-4-13-23(21)25/h1-19H.
What are the key properties of 5-iodo-1,4-dinaphthalen-1-ylnaphthalene?
5-iodo-1,4-dinaphthalen-1-ylnaphthalene has a molecular weight of 506.39 g/mol, XLogP of 9.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,4-dinaphthalen-1-ylnaphthalene is sourced from PubChem (CID 145347874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).