2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene

C40H26O2 — CID 58689928

IUPAC2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
SMILESc1ccc2c(Oc3ccc4ccccc4c3-c3c(Oc4cccc5ccccc45)ccc4ccccc34)cccc2c1
InChIInChI=1S/C40H26O2/c1-5-17-31-27(11-1)15-9-21-35(31)41-37-25-23-29-13-3-7-19-33(29)39(37)40-34-20-8-4-14-30(34)24-26-38(40)42-36-22-10-16-28-12-2-6-18-32(28)36/h1-26H
InChIKeyXHKSNPUGMWSPAC-UHFFFAOYSA-N
MW538.65 g/mol
LogP11.55
Rot. Bonds5

About 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene

2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene (PubChem CID 58689928) has the molecular formula C40H26O2 and a molecular weight of 538.65 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
PubChem CID58689928
Molecular FormulaC40H26O2
Molecular Weight538.65 g/mol
Exact Mass538.19
IUPAC Name2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
SMILESc1ccc2c(Oc3ccc4ccccc4c3-c3c(Oc4cccc5ccccc45)ccc4ccccc34)cccc2c1
InChIInChI=1S/C40H26O2/c1-5-17-31-27(11-1)15-9-21-35(31)41-37-25-23-29-13-3-7-19-33(29)39(37)40-34-20-8-4-14-30(34)24-26-38(40)42-36-22-10-16-28-12-2-6-18-32(28)36/h1-26H
InChIKeyXHKSNPUGMWSPAC-UHFFFAOYSA-N
XLogP11.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-(2-dimethylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-dimethylphosphane
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4-naphthalen-1-yloxybenzaldehyde
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(5-bromo-2-naphthalen-1-yloxyphenyl)methanamine
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CID 67562548

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene?
The IUPAC name of 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene (CID 58689928) is 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene is c1ccc2c(Oc3ccc4ccccc4c3-c3c(Oc4cccc5ccccc45)ccc4ccccc34)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene?
The InChIKey is XHKSNPUGMWSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O2/c1-5-17-31-27(11-1)15-9-21-35(31)41-37-25-23-29-13-3-7-19-33(29)39(37)40-34-20-8-4-14-30(34)24-26-38(40)42-36-22-10-16-28-12-2-6-18-32(28)36/h1-26H.
What are the key properties of 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene?
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene has a molecular weight of 538.65 g/mol, XLogP of 11.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene is sourced from PubChem (CID 58689928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).