(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane

C26H34O4 — CID 15361394

IUPAC(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
SMILESc1ccc([C@]23CCCC[C@]2(c2ccccc2)OCCCOCCOCCCO3)cc1
InChIInChI=1S/C26H34O4/c1-3-11-23(12-4-1)25-15-7-8-16-26(25,24-13-5-2-6-14-24)30-20-10-18-28-22-21-27-17-9-19-29-25/h1-6,11-14H,7-10,15-22H2/t25-,26-/m1/s1
InChIKeyBBYORKKHFUUXBR-CLJLJLNGSA-N
MW410.55 g/mol
LogP5.21
Rot. Bonds2

About (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane

(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane (PubChem CID 15361394) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane.

Molecular Properties

Compound Name(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
PubChem CID15361394
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane
SMILESc1ccc([C@]23CCCC[C@]2(c2ccccc2)OCCCOCCOCCCO3)cc1
InChIInChI=1S/C26H34O4/c1-3-11-23(12-4-1)25-15-7-8-16-26(25,24-13-5-2-6-14-24)30-20-10-18-28-22-21-27-17-9-19-29-25/h1-6,11-14H,7-10,15-22H2/t25-,26-/m1/s1
InChIKeyBBYORKKHFUUXBR-CLJLJLNGSA-N
XLogP5.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-diphenyl-1,3,6,9,12,15,18-heptaoxacycloicosane
CID 12934420
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730
(2-phenyloxan-2-yl)silane
CID 123975784
1,1-diphenylcyclotetradecane
CID 175822005
(6S)-8,8-diphenyl-1,7-dioxaspiro[5.6]dodecane
CID 102454041
9-methyl-9-phenyl-1,4,7-trioxacyclododecan-8-one
CID 10588652
3,3-dichloro-2-phenyloxan-2-ol
CID 166443974
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
benzene;oxane
CID 19832785
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 13401373
1-phenylcyclohexane-1-thiol
CID 19348891

Frequently Asked Questions

What is the IUPAC name of (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane?
The IUPAC name of (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane (CID 15361394) is (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane.
What is the SMILES notation for (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane?
The canonical SMILES for (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane is c1ccc([C@]23CCCC[C@]2(c2ccccc2)OCCCOCCOCCCO3)cc1.
What is the InChIKey of (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane?
The InChIKey is BBYORKKHFUUXBR-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H34O4/c1-3-11-23(12-4-1)25-15-7-8-16-26(25,24-13-5-2-6-14-24)30-20-10-18-28-22-21-27-17-9-19-29-25/h1-6,11-14H,7-10,15-22H2/t25-,26-/m1/s1.
What are the key properties of (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane?
(1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane has a molecular weight of 410.55 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R)-1,14-diphenyl-2,6,9,13-tetraoxabicyclo[12.4.0]octadecane is sourced from PubChem (CID 15361394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).