6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene

C42H28Br4O2 — CID 158239097

IUPAC6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
SMILESCc1ccc2cc(Br)ccc2c1-c1c(C)ccc2cc(Br)ccc12.Oc1ccc2cc(Br)ccc2c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C22H16Br2.C20H12Br2O2/c1-13-3-5-15-11-17(23)7-9-19(15)21(13)22-14(2)4-6-16-12-18(24)8-10-20(16)22;21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h3-12H,1-2H3;1-10,23-24H
InChIKeyGFICRFNKLZYFNJ-UHFFFAOYSA-N
MW884.30 g/mol
LogP14.40
Rot. Bonds2

About 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene

6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene (PubChem CID 158239097) has the molecular formula C42H28Br4O2 and a molecular weight of 884.30 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
PubChem CID158239097
Molecular FormulaC42H28Br4O2
Molecular Weight884.30 g/mol
Exact Mass879.88
IUPAC Name6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene
SMILESCc1ccc2cc(Br)ccc2c1-c1c(C)ccc2cc(Br)ccc12.Oc1ccc2cc(Br)ccc2c1-c1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C22H16Br2.C20H12Br2O2/c1-13-3-5-15-11-17(23)7-9-19(15)21(13)22-14(2)4-6-16-12-18(24)8-10-20(16)22;21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h3-12H,1-2H3;1-10,23-24H
InChIKeyGFICRFNKLZYFNJ-UHFFFAOYSA-N
XLogP14.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.30
LogP ≤ 514.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11189978
6-bromo-3-[[7-bromo-4-(6-bromo-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalen-2-yl]methoxymethyl]-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101427403
[3-(6-bromo-2-hydroxynaphthalen-1-yl)-4-hydroxy-2,5-dimethylanilino] thiohypoiodite
CID 129144697
1-(3-amino-1,2-oxazol-5-yl)-6-bromonaphthalen-2-ol
CID 136928596
1-(5-amino-1,2-oxazol-4-yl)-6-bromonaphthalen-2-ol
CID 117490329
6-bromo-1-[[5-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]-2,4-dimethylphenyl]diazenyl]naphthalen-2-ol
CID 2749675
4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586021
2-amino-4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395325
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
4-bromo-2-(5-bromo-2-methylphenyl)phenol
CID 170237414
6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
CID 117451047

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene?
The IUPAC name of 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene (CID 158239097) is 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene.
What is the SMILES notation for 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene?
The canonical SMILES for 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene is Cc1ccc2cc(Br)ccc2c1-c1c(C)ccc2cc(Br)ccc12.Oc1ccc2cc(Br)ccc2c1-c1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene?
The InChIKey is GFICRFNKLZYFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2.C20H12Br2O2/c1-13-3-5-15-11-17(23)7-9-19(15)21(13)22-14(2)4-6-16-12-18(24)8-10-20(16)22;21-13-3-5-15-11(9-13)1-7-17(23)19(15)20-16-6-4-14(22)10-12(16)2-8-18(20)24/h3-12H,1-2H3;1-10,23-24H.
What are the key properties of 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene?
6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene has a molecular weight of 884.30 g/mol, XLogP of 14.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;6-bromo-1-(6-bromo-2-methylnaphthalen-1-yl)-2-methylnaphthalene is sourced from PubChem (CID 158239097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).