1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene

C22H18 — CID 521436

IUPAC1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene
SMILES[2H]Cc1cccc2cccc(-c3cccc4cccc(C[2H])c34)c12
InChIInChI=1S/C22H18/c1-15-7-3-9-17-11-5-13-19(21(15)17)20-14-6-12-18-10-4-8-16(2)22(18)20/h3-14H,1-2H3/i1D,2D
InChIKeySMWBLXLBHDDWCQ-QDNHWIQGSA-N
MW284.40 g/mol
LogP6.28
Rot. Bonds3

About 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene

1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene (PubChem CID 521436) has the molecular formula C22H18 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene
PubChem CID521436
Molecular FormulaC22H18
Molecular Weight284.40 g/mol
Exact Mass284.15
IUPAC Name1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene
SMILES[2H]Cc1cccc2cccc(-c3cccc4cccc(C[2H])c34)c12
InChIInChI=1S/C22H18/c1-15-7-3-9-17-11-5-13-19(21(15)17)20-14-6-12-18-10-4-8-16(2)22(18)20/h3-14H,1-2H3/i1D,2D
InChIKeySMWBLXLBHDDWCQ-QDNHWIQGSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
1-methoxy-8-(8-methylnaphthalen-1-yl)naphthalene
CID 123360792
fluoranthene
CID 139203734
1,8-dimethylnaphthalene;ethane
CID 91447117
8-methylbenzo[k]fluoranthene
CID 13440508
1-(4-fluorophenyl)-8-methylnaphthalene
CID 57338261
4,5-dimethylphenanthrene;ethane
CID 143983787
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
benzo[k]fluoranthene;ethane
CID 142369852
ethane;fluoranthene;triphenylene
CID 160720447
fluoranthene;toluene
CID 173324369
1-(2-methylphenyl)picene
CID 173138076

Frequently Asked Questions

What is the IUPAC name of 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene (CID 521436) is 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene is [2H]Cc1cccc2cccc(-c3cccc4cccc(C[2H])c34)c12.
What is the InChIKey of 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene?
The InChIKey is SMWBLXLBHDDWCQ-QDNHWIQGSA-N. The full InChI is InChI=1S/C22H18/c1-15-7-3-9-17-11-5-13-19(21(15)17)20-14-6-12-18-10-4-8-16(2)22(18)20/h3-14H,1-2H3/i1D,2D.
What are the key properties of 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene?
1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene has a molecular weight of 284.40 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 521436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).