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2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C39H34N4O3Pt — CID 153416939

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCOc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OC)c1-c1c(C)cc(C)c(C)c1C.[Pt+2]
InChIInChI=1S/C39H34N4O3.Pt/c1-23-17-18-40-35(19-23)42-33-14-9-8-13-31(33)32-16-15-30(22-34(32)42)46-29-12-10-11-28(21-29)43-39(45-7)37(38(41-43)44-6)36-25(3)20-24(2)26(4)27(36)5;/h8-20H,1-7H3;/q-2;+2
InChIKeyBEELDRJYRLIHRU-UHFFFAOYSA-N
MW801.80 g/mol
LogP8.98
Rot. Bonds7

About 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153416939) has the molecular formula C39H34N4O3Pt and a molecular weight of 801.80 g/mol. Its IUPAC name is 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID153416939
Molecular FormulaC39H34N4O3Pt
Molecular Weight801.80 g/mol
Exact Mass801.23
IUPAC Name2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCOc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OC)c1-c1c(C)cc(C)c(C)c1C.[Pt+2]
InChIInChI=1S/C39H34N4O3.Pt/c1-23-17-18-40-35(19-23)42-33-14-9-8-13-31(33)32-16-15-30(22-34(32)42)46-29-12-10-11-28(21-29)43-39(45-7)37(38(41-43)44-6)36-25(3)20-24(2)26(4)27(36)5;/h8-20H,1-7H3;/q-2;+2
InChIKeyBEELDRJYRLIHRU-UHFFFAOYSA-N
XLogP8.98
TPSA63.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.80
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 153416939) is 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is COc1nn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c(OC)c1-c1c(C)cc(C)c(C)c1C.[Pt+2].
What is the InChIKey of 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is BEELDRJYRLIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N4O3.Pt/c1-23-17-18-40-35(19-23)42-33-14-9-8-13-31(33)32-16-15-30(22-34(32)42)46-29-12-10-11-28(21-29)43-39(45-7)37(38(41-43)44-6)36-25(3)20-24(2)26(4)27(36)5;/h8-20H,1-7H3;/q-2;+2.
What are the key properties of 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 801.80 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-dimethoxy-4-(2,3,4,6-tetramethylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153416939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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