2,3-dibromo-1,4-diphenylnaphthalene

C22H14Br2 — CID 14738622

IUPAC2,3-dibromo-1,4-diphenylnaphthalene
SMILESBrc1c(Br)c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H14Br2/c23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24)16-11-5-2-6-12-16/h1-14H
InChIKeyGWNDTVVOZWNQOB-UHFFFAOYSA-N
MW438.16 g/mol
LogP7.70
Rot. Bonds2

About 2,3-dibromo-1,4-diphenylnaphthalene

2,3-dibromo-1,4-diphenylnaphthalene (PubChem CID 14738622) has the molecular formula C22H14Br2 and a molecular weight of 438.16 g/mol. Its IUPAC name is 2,3-dibromo-1,4-diphenylnaphthalene.

Molecular Properties

Compound Name2,3-dibromo-1,4-diphenylnaphthalene
PubChem CID14738622
Molecular FormulaC22H14Br2
Molecular Weight438.16 g/mol
Exact Mass435.95
IUPAC Name2,3-dibromo-1,4-diphenylnaphthalene
SMILESBrc1c(Br)c(-c2ccccc2)c2ccccc2c1-c1ccccc1
InChIInChI=1S/C22H14Br2/c23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24)16-11-5-2-6-12-16/h1-14H
InChIKeyGWNDTVVOZWNQOB-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.16
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-1,4-diphenylnaphthalene?
The IUPAC name of 2,3-dibromo-1,4-diphenylnaphthalene (CID 14738622) is 2,3-dibromo-1,4-diphenylnaphthalene.
What is the SMILES notation for 2,3-dibromo-1,4-diphenylnaphthalene?
The canonical SMILES for 2,3-dibromo-1,4-diphenylnaphthalene is Brc1c(Br)c(-c2ccccc2)c2ccccc2c1-c1ccccc1.
What is the InChIKey of 2,3-dibromo-1,4-diphenylnaphthalene?
The InChIKey is GWNDTVVOZWNQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2/c23-21-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22(21)24)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 2,3-dibromo-1,4-diphenylnaphthalene?
2,3-dibromo-1,4-diphenylnaphthalene has a molecular weight of 438.16 g/mol, XLogP of 7.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-1,4-diphenylnaphthalene is sourced from PubChem (CID 14738622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).