1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one

C30H24N2O — CID 15866585

IUPAC1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
SMILESO=C1c2ccccc2CCC12C(c1ccccc1)C(c1ccccc1)=NN2c1ccccc1
InChIInChI=1S/C30H24N2O/c33-29-26-19-11-10-12-22(26)20-21-30(29)27(23-13-4-1-5-14-23)28(24-15-6-2-7-16-24)31-32(30)25-17-8-3-9-18-25/h1-19,27H,20-21H2
InChIKeyWZEKXOREFNFDDK-UHFFFAOYSA-N
MW428.54 g/mol
LogP6.26
Rot. Bonds3

About 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one

1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one (PubChem CID 15866585) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one.

Molecular Properties

Compound Name1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
PubChem CID15866585
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one
SMILESO=C1c2ccccc2CCC12C(c1ccccc1)C(c1ccccc1)=NN2c1ccccc1
InChIInChI=1S/C30H24N2O/c33-29-26-19-11-10-12-22(26)20-21-30(29)27(23-13-4-1-5-14-23)28(24-15-6-2-7-16-24)31-32(30)25-17-8-3-9-18-25/h1-19,27H,20-21H2
InChIKeyWZEKXOREFNFDDK-UHFFFAOYSA-N
XLogP6.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The IUPAC name of 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one (CID 15866585) is 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one.
What is the SMILES notation for 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The canonical SMILES for 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one is O=C1c2ccccc2CCC12C(c1ccccc1)C(c1ccccc1)=NN2c1ccccc1.
What is the InChIKey of 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
The InChIKey is WZEKXOREFNFDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c33-29-26-19-11-10-12-22(26)20-21-30(29)27(23-13-4-1-5-14-23)28(24-15-6-2-7-16-24)31-32(30)25-17-8-3-9-18-25/h1-19,27H,20-21H2.
What are the key properties of 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one?
1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one has a molecular weight of 428.54 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',4'-triphenylspiro[3,4-dihydronaphthalene-2,5'-4H-pyrazole]-1-one is sourced from PubChem (CID 15866585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).