2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene

C20H18 — CID 175734383

IUPAC2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene
SMILES[2H]c1cccc2c1C(c1c([2H])ccc3ccccc13)CCC2
InChIInChI=1S/C20H18/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2/i12D,13D
InChIKeyXIBLJLTUROSMKI-LNBFZYQFSA-N
MW260.38 g/mol
LogP5.31
Rot. Bonds1

About 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene

2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene (PubChem CID 175734383) has the molecular formula C20H18 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene
PubChem CID175734383
Molecular FormulaC20H18
Molecular Weight260.38 g/mol
Exact Mass260.15
IUPAC Name2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene
SMILES[2H]c1cccc2c1C(c1c([2H])ccc3ccccc13)CCC2
InChIInChI=1S/C20H18/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2/i12D,13D
InChIKeyXIBLJLTUROSMKI-LNBFZYQFSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(2,3,4,5,6-pentadeuteriophenyl)-10-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]anthracene
CID 170654177
1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 23310853
naphthalen-1-ylmethyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 7322208
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
CID 140997606
1,4-dinaphthalen-1-yl-2,5-bis(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 59981498
6-naphthalen-1-ylpiperidin-2-one
CID 18916072
4-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 19849908
3-(chloromethyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazole
CID 55111257
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
1-(2-methyl-4,5,6,7-tetrahydro-1H-inden-1-id-4-yl)naphthalene;zirconium(3+);dichloride
CID 159508374

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene?
The IUPAC name of 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene (CID 175734383) is 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene is [2H]c1cccc2c1C(c1c([2H])ccc3ccccc13)CCC2.
What is the InChIKey of 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene?
The InChIKey is XIBLJLTUROSMKI-LNBFZYQFSA-N. The full InChI is InChI=1S/C20H18/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-5,7-9,11-13,20H,6,10,14H2/i12D,13D.
What are the key properties of 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene?
2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene has a molecular weight of 260.38 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-(8-deuterio-1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene is sourced from PubChem (CID 175734383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).