platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide

C33H18F3N5Pt — CID 140742601

IUPACplatinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C33H18F3N5.Pt/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39;/h1-18H;/q-2;+2
InChIKeyAJTQHWDOBAXAIK-UHFFFAOYSA-N
MW736.61 g/mol
LogP8.08
Rot. Bonds3

About platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide

platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide (PubChem CID 140742601) has the molecular formula C33H18F3N5Pt and a molecular weight of 736.61 g/mol. Its IUPAC name is platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide.

Molecular Properties

Compound Nameplatinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide
PubChem CID140742601
Molecular FormulaC33H18F3N5Pt
Molecular Weight736.61 g/mol
Exact Mass736.12
IUPAC Nameplatinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide
SMILESFC(F)(F)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C33H18F3N5.Pt/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39;/h1-18H;/q-2;+2
InChIKeyAJTQHWDOBAXAIK-UHFFFAOYSA-N
XLogP8.08
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.61
LogP ≤ 58.08
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

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(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
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6-[[8-Fluoro-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 71666369
5,7-Difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N,N-dimethylpyridin-2-amine
CID 10131654
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-phenylpyridin-2-amine
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N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 10294033
(R)-2-(5-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11554762
6-(Difluoro(8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinoline
CID 44181460
4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
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6-[[5-[1-(2-Pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide?
The IUPAC name of platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide (CID 140742601) is platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide.
What is the SMILES notation for platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide?
The canonical SMILES for platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide is FC(F)(F)c1ccnc(-n2c3[c-]c(-n4c5[c-]c(-n6cccn6)ccc5c5ccccc54)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide?
The InChIKey is AJTQHWDOBAXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18F3N5.Pt/c34-33(35,36)21-14-16-37-32(18-21)41-29-9-4-2-7-25(29)27-13-11-23(20-31(27)41)40-28-8-3-1-6-24(28)26-12-10-22(19-30(26)40)39-17-5-15-38-39;/h1-18H;/q-2;+2.
What are the key properties of platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide?
platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide has a molecular weight of 736.61 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-pyrazol-1-yl-9-[9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 140742601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).