2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene

C36H24O3 — CID 135017313

IUPAC2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
SMILESc1ccc2cc(Oc3cc(Oc4ccc5ccccc5c4)cc(Oc4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C36H24O3/c1-4-10-28-19-31(16-13-25(28)7-1)37-34-22-35(38-32-17-14-26-8-2-5-11-29(26)20-32)24-36(23-34)39-33-18-15-27-9-3-6-12-30(27)21-33/h1-24H
InChIKeyXRKWVHHRIKOPAU-UHFFFAOYSA-N
MW504.59 g/mol
LogP10.52
Rot. Bonds6

About 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene

2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene (PubChem CID 135017313) has the molecular formula C36H24O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene.

Molecular Properties

Compound Name2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
PubChem CID135017313
Molecular FormulaC36H24O3
Molecular Weight504.59 g/mol
Exact Mass504.17
IUPAC Name2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
SMILESc1ccc2cc(Oc3cc(Oc4ccc5ccccc5c4)cc(Oc4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C36H24O3/c1-4-10-28-19-31(16-13-25(28)7-1)37-34-22-35(38-32-17-14-26-8-2-5-11-29(26)20-32)24-36(23-34)39-33-18-15-27-9-3-6-12-30(27)21-33/h1-24H
InChIKeyXRKWVHHRIKOPAU-UHFFFAOYSA-N
XLogP10.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene?
The IUPAC name of 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene (CID 135017313) is 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene.
What is the SMILES notation for 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene?
The canonical SMILES for 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene is c1ccc2cc(Oc3cc(Oc4ccc5ccccc5c4)cc(Oc4ccc5ccccc5c4)c3)ccc2c1.
What is the InChIKey of 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene?
The InChIKey is XRKWVHHRIKOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O3/c1-4-10-28-19-31(16-13-25(28)7-1)37-34-22-35(38-32-17-14-26-8-2-5-11-29(26)20-32)24-36(23-34)39-33-18-15-27-9-3-6-12-30(27)21-33/h1-24H.
What are the key properties of 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene?
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene has a molecular weight of 504.59 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene is sourced from PubChem (CID 135017313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).