4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane

C34H34O2 — CID 3090732

IUPAC4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane
SMILESc1ccc(C2CC(C3CC(c4ccccc4)OC(c4ccccc4)C3)CC(c3ccccc3)O2)cc1
InChIInChI=1S/C34H34O2/c1-5-13-25(14-6-1)31-21-29(22-32(35-31)26-15-7-2-8-16-26)30-23-33(27-17-9-3-10-18-27)36-34(24-30)28-19-11-4-12-20-28/h1-20,29-34H,21-24H2
InChIKeyNZIGZXNUFVMHNV-UHFFFAOYSA-N
MW474.64 g/mol
LogP8.80
Rot. Bonds5

About 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane

4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane (PubChem CID 3090732) has the molecular formula C34H34O2 and a molecular weight of 474.64 g/mol. Its IUPAC name is 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane.

Molecular Properties

Compound Name4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane
PubChem CID3090732
Molecular FormulaC34H34O2
Molecular Weight474.64 g/mol
Exact Mass474.26
IUPAC Name4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane
SMILESc1ccc(C2CC(C3CC(c4ccccc4)OC(c4ccccc4)C3)CC(c3ccccc3)O2)cc1
InChIInChI=1S/C34H34O2/c1-5-13-25(14-6-1)31-21-29(22-32(35-31)26-15-7-2-8-16-26)30-23-33(27-17-9-3-10-18-27)36-34(24-30)28-19-11-4-12-20-28/h1-20,29-34H,21-24H2
InChIKeyNZIGZXNUFVMHNV-UHFFFAOYSA-N
XLogP8.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane?
The IUPAC name of 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane (CID 3090732) is 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane.
What is the SMILES notation for 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane?
The canonical SMILES for 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane is c1ccc(C2CC(C3CC(c4ccccc4)OC(c4ccccc4)C3)CC(c3ccccc3)O2)cc1.
What is the InChIKey of 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane?
The InChIKey is NZIGZXNUFVMHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O2/c1-5-13-25(14-6-1)31-21-29(22-32(35-31)26-15-7-2-8-16-26)30-23-33(27-17-9-3-10-18-27)36-34(24-30)28-19-11-4-12-20-28/h1-20,29-34H,21-24H2.
What are the key properties of 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane?
4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane has a molecular weight of 474.64 g/mol, XLogP of 8.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenyloxan-4-yl)-2,6-diphenyloxane is sourced from PubChem (CID 3090732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).