8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol

C16H12O — CID 177287228

IUPAC8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3ccc(O)cc23)c([2H])c1[2H]
InChIInChI=1S/C16H12O/c17-14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12/h1-11,17H/i1D,2D,3D,5D,6D
InChIKeyCCSHLQBRNAHTIE-XFEWCBMOSA-N
MW225.30 g/mol
LogP4.21
Rot. Bonds1

About 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol

8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol (PubChem CID 177287228) has the molecular formula C16H12O and a molecular weight of 225.30 g/mol. Its IUPAC name is 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol.

Molecular Properties

Compound Name8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol
PubChem CID177287228
Molecular FormulaC16H12O
Molecular Weight225.30 g/mol
Exact Mass225.12
IUPAC Name8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3ccc(O)cc23)c([2H])c1[2H]
InChIInChI=1S/C16H12O/c17-14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12/h1-11,17H/i1D,2D,3D,5D,6D
InChIKeyCCSHLQBRNAHTIE-XFEWCBMOSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)anthracene
CID 166587941
1,2,3,4,5,6,7,8-octadeuterio-9-[3-(7-naphthalen-1-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 176646878
4-(4-deuterionaphthalen-1-yl)phenol
CID 71601570
4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-ol
CID 58251687
1-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-pyren-1-ylphenyl]pyrene
CID 156656882
2,4-dinaphthalen-2-yl-6-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4,6-tris(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 165016718
phenanthren-3-ol
CID 73057263
azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807
4-[4-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]phenyl]benzo[a]anthracene
CID 140593081
1-[2,3-bis(2,3,4,5,6-pentadeuteriophenyl)-5-pyren-1-ylphenyl]pyrene
CID 166019440
9-naphthalen-1-yl-10-[7-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]anthracene
CID 140620857
1,2,3,4,5,6,7,8-octadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-10-(4-phenanthren-1-yl-2,6-diphenylphenyl)anthracene
CID 177108233

Frequently Asked Questions

What is the IUPAC name of 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol?
The IUPAC name of 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol (CID 177287228) is 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol.
What is the SMILES notation for 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol?
The canonical SMILES for 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol is [2H]c1c([2H])c([2H])c(-c2cccc3ccc(O)cc23)c([2H])c1[2H].
What is the InChIKey of 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol?
The InChIKey is CCSHLQBRNAHTIE-XFEWCBMOSA-N. The full InChI is InChI=1S/C16H12O/c17-14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12/h1-11,17H/i1D,2D,3D,5D,6D.
What are the key properties of 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol?
8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol has a molecular weight of 225.30 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-ol is sourced from PubChem (CID 177287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).