4,5-dibromo-1-phenylnaphthalene

C16H10Br2 — CID 155350544

IUPAC4,5-dibromo-1-phenylnaphthalene
SMILESBrc1cccc2c(-c3ccccc3)ccc(Br)c12
InChIInChI=1S/C16H10Br2/c17-14-8-4-7-13-12(9-10-15(18)16(13)14)11-5-2-1-3-6-11/h1-10H
InChIKeyIRDNYORDCUFVFG-UHFFFAOYSA-N
MW362.06 g/mol
LogP6.03
Rot. Bonds1

About 4,5-dibromo-1-phenylnaphthalene

4,5-dibromo-1-phenylnaphthalene (PubChem CID 155350544) has the molecular formula C16H10Br2 and a molecular weight of 362.06 g/mol. Its IUPAC name is 4,5-dibromo-1-phenylnaphthalene.

Molecular Properties

Compound Name4,5-dibromo-1-phenylnaphthalene
PubChem CID155350544
Molecular FormulaC16H10Br2
Molecular Weight362.06 g/mol
Exact Mass359.91
IUPAC Name4,5-dibromo-1-phenylnaphthalene
SMILESBrc1cccc2c(-c3ccccc3)ccc(Br)c12
InChIInChI=1S/C16H10Br2/c17-14-8-4-7-13-12(9-10-15(18)16(13)14)11-5-2-1-3-6-11/h1-10H
InChIKeyIRDNYORDCUFVFG-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.06
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-bromo-1,5-diphenylnaphthalene
CID 151219603
4-bromo-1-chloro-5-phenylnaphthalene
CID 171751461
7-phenyl-15-(15-phenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 122629554
3-bromo-1,6-diphenylpyrene
CID 86668275
3-(2-bromophenyl)fluoranthene
CID 58390376
3-(9,10-diphenylbenzo[k]fluoranthen-3-yl)-9,10-diphenylbenzo[k]fluoranthene
CID 58988796
3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
CID 155342209
1-bromo-4-phenyl-9H-carbazole
CID 152676128
1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 156656874
19-phenyl-8-(4-phenylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642391
7,16,23-triphenylheptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20(28),21,23,25-tetradecaene
CID 123235344
4-(4-bromonaphthalen-1-yl)pyridine
CID 71248544

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-phenylnaphthalene?
The IUPAC name of 4,5-dibromo-1-phenylnaphthalene (CID 155350544) is 4,5-dibromo-1-phenylnaphthalene.
What is the SMILES notation for 4,5-dibromo-1-phenylnaphthalene?
The canonical SMILES for 4,5-dibromo-1-phenylnaphthalene is Brc1cccc2c(-c3ccccc3)ccc(Br)c12.
What is the InChIKey of 4,5-dibromo-1-phenylnaphthalene?
The InChIKey is IRDNYORDCUFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2/c17-14-8-4-7-13-12(9-10-15(18)16(13)14)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 4,5-dibromo-1-phenylnaphthalene?
4,5-dibromo-1-phenylnaphthalene has a molecular weight of 362.06 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-phenylnaphthalene is sourced from PubChem (CID 155350544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).