2-(3,5-dibromophenyl)-6-iodonaphthalene

C16H9Br2I — CID 121450064

IUPAC2-(3,5-dibromophenyl)-6-iodonaphthalene
SMILESBrc1cc(Br)cc(-c2ccc3cc(I)ccc3c2)c1
InChIInChI=1S/C16H9Br2I/c17-14-6-13(7-15(18)9-14)11-1-2-12-8-16(19)4-3-10(12)5-11/h1-9H
InChIKeyLTUDNKMSPVDMPV-UHFFFAOYSA-N
MW487.96 g/mol
LogP6.64
Rot. Bonds1

About 2-(3,5-dibromophenyl)-6-iodonaphthalene

2-(3,5-dibromophenyl)-6-iodonaphthalene (PubChem CID 121450064) has the molecular formula C16H9Br2I and a molecular weight of 487.96 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-6-iodonaphthalene.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-6-iodonaphthalene
PubChem CID121450064
Molecular FormulaC16H9Br2I
Molecular Weight487.96 g/mol
Exact Mass485.81
IUPAC Name2-(3,5-dibromophenyl)-6-iodonaphthalene
SMILESBrc1cc(Br)cc(-c2ccc3cc(I)ccc3c2)c1
InChIInChI=1S/C16H9Br2I/c17-14-6-13(7-15(18)9-14)11-1-2-12-8-16(19)4-3-10(12)5-11/h1-9H
InChIKeyLTUDNKMSPVDMPV-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.96
LogP ≤ 56.64
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

1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
4-(6-iodonaphthalen-2-yl)pyridine
CID 155054482
2-(3-bromo-5-chlorophenyl)naphthalene
CID 141471222
1-bromo-4-iodobenzene;2-(4-bromophenyl)naphthalene;9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 161268900
3-bromobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19746447
[4-[4-[7-[4-(4-iodophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl] thiohypoiodite
CID 170291557
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
1-(6-iodonaphthalen-2-yl)-4-methylnaphthalene
CID 70994486
2-[3-[3-[3-[3,4-bis(ethenyl)phenyl]-5-bromophenyl]phenyl]-5-bromophenyl]naphthalene
CID 143743019
6-(6-iodonaphthalen-2-yl)-1,2-dipropylnaphthalene
CID 70999790
1,3-dibromo-5-phenylbenzene
CID 3014933
6-iodonaphthalen-2-amine;hydrochloride
CID 127258958

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-6-iodonaphthalene?
The IUPAC name of 2-(3,5-dibromophenyl)-6-iodonaphthalene (CID 121450064) is 2-(3,5-dibromophenyl)-6-iodonaphthalene.
What is the SMILES notation for 2-(3,5-dibromophenyl)-6-iodonaphthalene?
The canonical SMILES for 2-(3,5-dibromophenyl)-6-iodonaphthalene is Brc1cc(Br)cc(-c2ccc3cc(I)ccc3c2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-6-iodonaphthalene?
The InChIKey is LTUDNKMSPVDMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2I/c17-14-6-13(7-15(18)9-14)11-1-2-12-8-16(19)4-3-10(12)5-11/h1-9H.
What are the key properties of 2-(3,5-dibromophenyl)-6-iodonaphthalene?
2-(3,5-dibromophenyl)-6-iodonaphthalene has a molecular weight of 487.96 g/mol, XLogP of 6.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-6-iodonaphthalene is sourced from PubChem (CID 121450064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).