7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C20H12Br2O2 — CID 11189978

IUPAC7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccc(Br)cc2c1-c1c(O)ccc2ccc(Br)cc12
InChIInChI=1S/C20H12Br2O2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,23-24H
InChIKeyPFCTXGMVLJSCEX-UHFFFAOYSA-N
MW444.12 g/mol
LogP6.60
Rot. Bonds1

About 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 11189978) has the molecular formula C20H12Br2O2 and a molecular weight of 444.12 g/mol. Its IUPAC name is 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID11189978
Molecular FormulaC20H12Br2O2
Molecular Weight444.12 g/mol
Exact Mass441.92
IUPAC Name7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1ccc2ccc(Br)cc2c1-c1c(O)ccc2ccc(Br)cc12
InChIInChI=1S/C20H12Br2O2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,23-24H
InChIKeyPFCTXGMVLJSCEX-UHFFFAOYSA-N
XLogP6.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.12
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
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
2-bromo-11-hydroxybenzo[a]anthracene-7,12-dione
CID 57343643
4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10841304
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
6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol
CID 101443627
3-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101402327
10,13,16-trioxapentacyclo[15.6.2.26,9.02,7.020,24]heptacosa-1(23),2,4,6,8,17(25),18,20(24),21,26-decaene-3,23-diol
CID 10992731
1-(2,3-dibromonaphthalen-1-yl)naphthalen-2-ol
CID 67157613
1,2,7-tribromonaphthalene
CID 150191333
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol
CID 102103016

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 11189978) is 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccc(Br)cc2c1-c1c(O)ccc2ccc(Br)cc12.
What is the InChIKey of 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is PFCTXGMVLJSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2O2/c21-13-5-1-11-3-7-17(23)19(15(11)9-13)20-16-10-14(22)6-2-12(16)4-8-18(20)24/h1-10,23-24H.
What are the key properties of 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 444.12 g/mol, XLogP of 6.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-(7-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 11189978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).