2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C32H20N4OPt — CID 140742633

IUPAC2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C32H20N4O.Pt/c1-2-9-23(10-3-1)24-21-34-35(22-24)25-11-8-12-26(19-25)37-27-16-17-29-28-13-4-5-14-30(28)36(31(29)20-27)32-15-6-7-18-33-32;/h1-18,21-22H;/q-2;+2
InChIKeyDSEFJLLEEMHMGD-UHFFFAOYSA-N
MW671.62 g/mol
LogP7.42
Rot. Bonds5

About 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140742633) has the molecular formula C32H20N4OPt and a molecular weight of 671.62 g/mol. Its IUPAC name is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID140742633
Molecular FormulaC32H20N4OPt
Molecular Weight671.62 g/mol
Exact Mass671.13
IUPAC Name2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C32H20N4O.Pt/c1-2-9-23(10-3-1)24-21-34-35(22-24)25-11-8-12-26(19-25)37-27-16-17-29-28-13-4-5-14-30(28)36(31(29)20-27)32-15-6-7-18-33-32;/h1-18,21-22H;/q-2;+2
InChIKeyDSEFJLLEEMHMGD-UHFFFAOYSA-N
XLogP7.42
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.62
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

US10954240, Example 47
CID 118930313
Dihydropyrrolopyrazole, 12
CID 21992881
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 50
CID 118930273
US10954240, Example 49
CID 118930277
US10954240, Example 45
CID 140893710
4-[6-(1-Methylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridin-4-yl]morpholine
CID 134811076
platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide
CID 140742601
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 140742611
2,7-bis[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760911
2,7-bis[[4-(1,1,2,2,2-pentafluoroethyl)-9-pyridin-2-yl-1H-carbazol-1-id-2-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(platinum(2+))
CID 145760985

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 140742633) is 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is DSEFJLLEEMHMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4O.Pt/c1-2-9-23(10-3-1)24-21-34-35(22-24)25-11-8-12-26(19-25)37-27-16-17-29-28-13-4-5-14-30(28)36(31(29)20-27)32-15-6-7-18-33-32;/h1-18,21-22H;/q-2;+2.
What are the key properties of 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 671.62 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140742633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).