4-benzyl-2,4,6-triphenylpyran

C30H24O — CID 14198395

IUPAC4-benzyl-2,4,6-triphenylpyran
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=CC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O/c1-5-13-24(14-6-1)21-30(27-19-11-4-12-20-27)22-28(25-15-7-2-8-16-25)31-29(23-30)26-17-9-3-10-18-26/h1-20,22-23H,21H2
InChIKeyRBXZXICYEVYVDP-UHFFFAOYSA-N
MW400.52 g/mol
LogP7.28
Rot. Bonds5

About 4-benzyl-2,4,6-triphenylpyran

4-benzyl-2,4,6-triphenylpyran (PubChem CID 14198395) has the molecular formula C30H24O and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-benzyl-2,4,6-triphenylpyran.

Molecular Properties

Compound Name4-benzyl-2,4,6-triphenylpyran
PubChem CID14198395
Molecular FormulaC30H24O
Molecular Weight400.52 g/mol
Exact Mass400.18
IUPAC Name4-benzyl-2,4,6-triphenylpyran
SMILESC1=C(c2ccccc2)OC(c2ccccc2)=CC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O/c1-5-13-24(14-6-1)21-30(27-19-11-4-12-20-27)22-28(25-15-7-2-8-16-25)31-29(23-30)26-17-9-3-10-18-26/h1-20,22-23H,21H2
InChIKeyRBXZXICYEVYVDP-UHFFFAOYSA-N
XLogP7.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-(4-methoxyphenyl)-2,4,6-triphenylpyridine
CID 3768756
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CID 25243036
(2R,3S)-2-benzyl-2,3-diphenyloxirane
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1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
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CID 90922611
[1-[(4-phenylphenyl)methyl]cyclopropyl]methanol
CID 116928854
6-tert-butyl-4-methyl-2,4-diphenylchromene
CID 45112727
1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778
4-benzyl-4-(iodomethyl)-2-phenyl-1,3-oxazol-5-one
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1-(2-benzyl-2-phenylcyclopropyl)pyrrolidine
CID 173232892

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,4,6-triphenylpyran?
The IUPAC name of 4-benzyl-2,4,6-triphenylpyran (CID 14198395) is 4-benzyl-2,4,6-triphenylpyran.
What is the SMILES notation for 4-benzyl-2,4,6-triphenylpyran?
The canonical SMILES for 4-benzyl-2,4,6-triphenylpyran is C1=C(c2ccccc2)OC(c2ccccc2)=CC1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-benzyl-2,4,6-triphenylpyran?
The InChIKey is RBXZXICYEVYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O/c1-5-13-24(14-6-1)21-30(27-19-11-4-12-20-27)22-28(25-15-7-2-8-16-25)31-29(23-30)26-17-9-3-10-18-26/h1-20,22-23H,21H2.
What are the key properties of 4-benzyl-2,4,6-triphenylpyran?
4-benzyl-2,4,6-triphenylpyran has a molecular weight of 400.52 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,4,6-triphenylpyran is sourced from PubChem (CID 14198395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).