1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene

C28H22O2 — CID 139725351

IUPAC1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
SMILESCC(Oc1cccc2ccccc12)(Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H22O2/c1-28(23-15-3-2-4-16-23,29-26-19-9-13-21-11-5-7-17-24(21)26)30-27-20-10-14-22-12-6-8-18-25(22)27/h2-20H,1H3
InChIKeyIWGWGPKVVMQMGR-UHFFFAOYSA-N
MW390.48 g/mol
LogP7.32
Rot. Bonds5

About 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene

1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene (PubChem CID 139725351) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene.

Molecular Properties

Compound Name1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
PubChem CID139725351
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene
SMILESCC(Oc1cccc2ccccc12)(Oc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C28H22O2/c1-28(23-15-3-2-4-16-23,29-26-19-9-13-21-11-5-7-17-24(21)26)30-27-20-10-14-22-12-6-8-18-25(22)27/h2-20H,1H3
InChIKeyIWGWGPKVVMQMGR-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene?
The IUPAC name of 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene (CID 139725351) is 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene.
What is the SMILES notation for 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene?
The canonical SMILES for 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene is CC(Oc1cccc2ccccc12)(Oc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene?
The InChIKey is IWGWGPKVVMQMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-28(23-15-3-2-4-16-23,29-26-19-9-13-21-11-5-7-17-24(21)26)30-27-20-10-14-22-12-6-8-18-25(22)27/h2-20H,1H3.
What are the key properties of 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene?
1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene has a molecular weight of 390.48 g/mol, XLogP of 7.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-yloxy-1-phenylethoxy)naphthalene is sourced from PubChem (CID 139725351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).