3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one

C30H22N2O2 — CID 171346824

IUPAC3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NNC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)C1
InChIInChI=1S/C30H22N2O2/c33-30-26(18-23-13-7-8-14-29(23)34-30)28-19-27(31-32-28)22-15-16-24(20-9-3-1-4-10-20)25(17-22)21-11-5-2-6-12-21/h1-18,27,31H,19H2
InChIKeyRFHXNIKPSZCKHY-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.57
Rot. Bonds4

About 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one

3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one (PubChem CID 171346824) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one.

Molecular Properties

Compound Name3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
PubChem CID171346824
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
SMILESO=c1oc2ccccc2cc1C1=NNC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)C1
InChIInChI=1S/C30H22N2O2/c33-30-26(18-23-13-7-8-14-29(23)34-30)28-19-27(31-32-28)22-15-16-24(20-9-3-1-4-10-20)25(17-22)21-11-5-2-6-12-21/h1-18,27,31H,19H2
InChIKeyRFHXNIKPSZCKHY-UHFFFAOYSA-N
XLogP6.57
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one 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

3-[5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 4532763
3-[(5S)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one
CID 40529928
3-phenylchromen-2-one;hydrochloride
CID 141206894
3-[(5R)-5-(1,3-benzodioxol-5-yl)-3-sulfanylidene-2,4,5,6-tetrahydro-1,2,4-triazepin-7-yl]chromen-2-one
CID 7832263
3-(4,5-diphenyl-1,3-oxazol-2-yl)chromen-2-one
CID 14320030
4-deuterio-3-phenylchromen-2-one
CID 10799109
3-(2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepin-4-yl)chromen-2-one
CID 3715200
3-[2-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one
CID 5020699
3-[4-[4-[2,6-bis(2-oxochromen-3-yl)-4-pyridinyl]phenyl]-6-(2-oxochromen-3-yl)-2-pyridinyl]chromen-2-one
CID 155815853
3-[(5R)-5-(furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]chromen-2-one
CID 40570041
3-[3-(furan-2-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 5115349
3-[2-(3,5-dihydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one
CID 3477163

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The IUPAC name of 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one (CID 171346824) is 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one.
What is the SMILES notation for 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The canonical SMILES for 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one is O=c1oc2ccccc2cc1C1=NNC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2)C1.
What is the InChIKey of 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
The InChIKey is RFHXNIKPSZCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-30-26(18-23-13-7-8-14-29(23)34-30)28-19-27(31-32-28)22-15-16-24(20-9-3-1-4-10-20)25(17-22)21-11-5-2-6-12-21/h1-18,27,31H,19H2.
What are the key properties of 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one?
3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one has a molecular weight of 442.52 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-diphenylphenyl)-4,5-dihydro-1H-pyrazol-3-yl]chromen-2-one is sourced from PubChem (CID 171346824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).