2,2,3-triphenylpyran

C23H18O — CID 69120623

IUPAC2,2,3-triphenylpyran
SMILESC1=COC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C23H18O/c1-4-11-19(12-5-1)22-17-10-18-24-23(22,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H
InChIKeyHJQXBPCJQKYPOV-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.56
Rot. Bonds3

About 2,2,3-triphenylpyran

2,2,3-triphenylpyran (PubChem CID 69120623) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2,2,3-triphenylpyran.

Molecular Properties

Compound Name2,2,3-triphenylpyran
PubChem CID69120623
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name2,2,3-triphenylpyran
SMILESC1=COC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1
InChIInChI=1S/C23H18O/c1-4-11-19(12-5-1)22-17-10-18-24-23(22,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H
InChIKeyHJQXBPCJQKYPOV-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-triphenylpyran?
The IUPAC name of 2,2,3-triphenylpyran (CID 69120623) is 2,2,3-triphenylpyran.
What is the SMILES notation for 2,2,3-triphenylpyran?
The canonical SMILES for 2,2,3-triphenylpyran is C1=COC(c2ccccc2)(c2ccccc2)C(c2ccccc2)=C1.
What is the InChIKey of 2,2,3-triphenylpyran?
The InChIKey is HJQXBPCJQKYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-4-11-19(12-5-1)22-17-10-18-24-23(22,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-18H.
What are the key properties of 2,2,3-triphenylpyran?
2,2,3-triphenylpyran has a molecular weight of 310.40 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triphenylpyran is sourced from PubChem (CID 69120623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).