1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene

C48H40 — CID 123254467

IUPAC1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
SMILESc1ccc(Cc2ccc3cc(Cc4ccccc4)ccc3c2)cc1.c1ccc(Cc2cccc3c(Cc4ccccc4)cccc23)cc1
InChIInChI=1S/2C24H20/c1-3-9-19(10-4-1)17-21-13-7-16-24-22(14-8-15-23(21)24)18-20-11-5-2-6-12-20;1-3-7-19(8-4-1)15-21-11-13-24-18-22(12-14-23(24)17-21)16-20-9-5-2-6-10-20/h1-16H,17-18H2;1-14,17-18H,15-16H2
InChIKeyREURXLGNZDJLSD-UHFFFAOYSA-N
MW616.85 g/mol
LogP12.04
Rot. Bonds8

About 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene

1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene (PubChem CID 123254467) has the molecular formula C48H40 and a molecular weight of 616.85 g/mol. Its IUPAC name is 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene.

Molecular Properties

Compound Name1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
PubChem CID123254467
Molecular FormulaC48H40
Molecular Weight616.85 g/mol
Exact Mass616.31
IUPAC Name1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
SMILESc1ccc(Cc2ccc3cc(Cc4ccccc4)ccc3c2)cc1.c1ccc(Cc2cccc3c(Cc4ccccc4)cccc23)cc1
InChIInChI=1S/2C24H20/c1-3-9-19(10-4-1)17-21-13-7-16-24-22(14-8-15-23(21)24)18-20-11-5-2-6-12-20;1-3-7-19(8-4-1)15-21-11-13-24-18-22(12-14-23(24)17-21)16-20-9-5-2-6-10-20/h1-16H,17-18H2;1-14,17-18H,15-16H2
InChIKeyREURXLGNZDJLSD-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.85
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-benzylnaphthalene
CID 11948
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
[2-[[2-[(3-benzylphenyl)methyl]phenyl]methyl]phenyl]methanol
CID 10317524
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
(6-benzylnaphthalen-2-yl) acetate
CID 132602814
2-benzyl-7-fluoronaphthalene
CID 54552488

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene?
The IUPAC name of 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene (CID 123254467) is 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene.
What is the SMILES notation for 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene?
The canonical SMILES for 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene is c1ccc(Cc2ccc3cc(Cc4ccccc4)ccc3c2)cc1.c1ccc(Cc2cccc3c(Cc4ccccc4)cccc23)cc1.
What is the InChIKey of 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene?
The InChIKey is REURXLGNZDJLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20/c1-3-9-19(10-4-1)17-21-13-7-16-24-22(14-8-15-23(21)24)18-20-11-5-2-6-12-20;1-3-7-19(8-4-1)15-21-11-13-24-18-22(12-14-23(24)17-21)16-20-9-5-2-6-10-20/h1-16H,17-18H2;1-14,17-18H,15-16H2.
What are the key properties of 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene?
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene has a molecular weight of 616.85 g/mol, XLogP of 12.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene is sourced from PubChem (CID 123254467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).