1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)

C39H34N4O2Pt — CID 58162114

IUPAC1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)
SMILESCC(C)c1cc(C(C)(C)c2cc(C(C)C)n(-c3[c-]cc4oc5ccccc5c4c3)n2)nn1-c1[c-]cc2oc3ccccc3c2c1.[Pt+2]
InChIInChI=1S/C39H34N4O2.Pt/c1-23(2)31-21-37(40-42(31)25-15-17-35-29(19-25)27-11-7-9-13-33(27)44-35)39(5,6)38-22-32(24(3)4)43(41-38)26-16-18-36-30(20-26)28-12-8-10-14-34(28)45-36;/h7-14,17-24H,1-6H3;/q-2;+2
InChIKeySTBBAEPPCYHMDL-UHFFFAOYSA-N
MW785.80 g/mol
LogP10.03
Rot. Bonds6

About 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)

1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) (PubChem CID 58162114) has the molecular formula C39H34N4O2Pt and a molecular weight of 785.80 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+).

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)
PubChem CID58162114
Molecular FormulaC39H34N4O2Pt
Molecular Weight785.80 g/mol
Exact Mass785.23
IUPAC Name1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)
SMILESCC(C)c1cc(C(C)(C)c2cc(C(C)C)n(-c3[c-]cc4oc5ccccc5c4c3)n2)nn1-c1[c-]cc2oc3ccccc3c2c1.[Pt+2]
InChIInChI=1S/C39H34N4O2.Pt/c1-23(2)31-21-37(40-42(31)25-15-17-35-29(19-25)27-11-7-9-13-33(27)44-35)39(5,6)38-22-32(24(3)4)43(41-38)26-16-18-36-30(20-26)28-12-8-10-14-34(28)45-36;/h7-14,17-24H,1-6H3;/q-2;+2
InChIKeySTBBAEPPCYHMDL-UHFFFAOYSA-N
XLogP10.03
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.80
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) 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

CID 158646308
CID 158646308
1-dibenzofuran-2-yl-3-[2-(1-phenylpyrazol-3-yl)propan-2-yl]pyrazole
CID 58435401
2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;iridium
CID 58183919
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[5-(3-methylbutan-2-yl)-1-phenylpyrazol-3-yl]propan-2-yl]pyridine;platinum(2+)
CID 154612378
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
2-dibenzofuran-3-yl-3-propan-2-ylquinoxaline
CID 163829279
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2-(2,2,5,5-tetramethylhexan-3-yl)dibenzofuran
CID 143903536
7-chloro-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 167289365

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)?
The IUPAC name of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) (CID 58162114) is 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+).
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) is CC(C)c1cc(C(C)(C)c2cc(C(C)C)n(-c3[c-]cc4oc5ccccc5c4c3)n2)nn1-c1[c-]cc2oc3ccccc3c2c1.[Pt+2].
What is the InChIKey of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)?
The InChIKey is STBBAEPPCYHMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O2.Pt/c1-23(2)31-21-37(40-42(31)25-15-17-35-29(19-25)27-11-7-9-13-33(27)44-35)39(5,6)38-22-32(24(3)4)43(41-38)26-16-18-36-30(20-26)28-12-8-10-14-34(28)45-36;/h7-14,17-24H,1-6H3;/q-2;+2.
What are the key properties of 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+)?
1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) has a molecular weight of 785.80 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-2-yl)-3-[2-[1-(3H-dibenzofuran-3-id-2-yl)-5-propan-2-ylpyrazol-3-yl]propan-2-yl]-5-propan-2-ylpyrazole;platinum(2+) is sourced from PubChem (CID 58162114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).