5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole

C30H26N2 — CID 153435540

IUPAC5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole
SMILESCC(C)c1cc(-c2ccccc2)c(-c2ccnn2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H26N2/c1-22(2)25-20-27(23-12-6-3-7-13-23)30(28(21-25)24-14-8-4-9-15-24)29-18-19-31-32(29)26-16-10-5-11-17-26/h3-22H,1-2H3
InChIKeyKNVBNDJVOGYLAU-UHFFFAOYSA-N
MW414.55 g/mol
LogP8.00
Rot. Bonds5

About 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole

5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole (PubChem CID 153435540) has the molecular formula C30H26N2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole
PubChem CID153435540
Molecular FormulaC30H26N2
Molecular Weight414.55 g/mol
Exact Mass414.21
IUPAC Name5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole
SMILESCC(C)c1cc(-c2ccccc2)c(-c2ccnn2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C30H26N2/c1-22(2)25-20-27(23-12-6-3-7-13-23)30(28(21-25)24-14-8-4-9-15-24)29-18-19-31-32(29)26-16-10-5-11-17-26/h3-22H,1-2H3
InChIKeyKNVBNDJVOGYLAU-UHFFFAOYSA-N
XLogP8.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole?
The IUPAC name of 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole (CID 153435540) is 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole?
The canonical SMILES for 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole is CC(C)c1cc(-c2ccccc2)c(-c2ccnn2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole?
The InChIKey is KNVBNDJVOGYLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2/c1-22(2)25-20-27(23-12-6-3-7-13-23)30(28(21-25)24-14-8-4-9-15-24)29-18-19-31-32(29)26-16-10-5-11-17-26/h3-22H,1-2H3.
What are the key properties of 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole?
5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole has a molecular weight of 414.55 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenyl-4-propan-2-ylphenyl)-1-phenylpyrazole is sourced from PubChem (CID 153435540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).