4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C20H10Br4O2 — CID 10841304

IUPAC4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1cc(Br)c2cc(Br)ccc2c1-c1c(O)cc(Br)c2cc(Br)ccc12
InChIInChI=1S/C20H10Br4O2/c21-9-1-3-11-13(5-9)15(23)7-17(25)19(11)20-12-4-2-10(22)6-14(12)16(24)8-18(20)26/h1-8,25-26H
InChIKeyCCLXZUVFAXXNBA-UHFFFAOYSA-N
MW601.91 g/mol
LogP8.12
Rot. Bonds1

About 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol

4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 10841304) has the molecular formula C20H10Br4O2 and a molecular weight of 601.91 g/mol. Its IUPAC name is 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID10841304
Molecular FormulaC20H10Br4O2
Molecular Weight601.91 g/mol
Exact Mass597.74
IUPAC Name4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESOc1cc(Br)c2cc(Br)ccc2c1-c1c(O)cc(Br)c2cc(Br)ccc12
InChIInChI=1S/C20H10Br4O2/c21-9-1-3-11-13(5-9)15(23)7-17(25)19(11)20-12-4-2-10(22)6-14(12)16(24)8-18(20)26/h1-8,25-26H
InChIKeyCCLXZUVFAXXNBA-UHFFFAOYSA-N
XLogP8.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.91
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 10841304) is 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1cc(Br)c2cc(Br)ccc2c1-c1c(O)cc(Br)c2cc(Br)ccc12.
What is the InChIKey of 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is CCLXZUVFAXXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br4O2/c21-9-1-3-11-13(5-9)15(23)7-17(25)19(11)20-12-4-2-10(22)6-14(12)16(24)8-18(20)26/h1-8,25-26H.
What are the key properties of 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 601.91 g/mol, XLogP of 8.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-1-(4,6-dibromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 10841304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).