platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol

C27H15F3N3OPtS- — CID 176605767

IUPACplatinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol
SMILESOc1ccc(C(F)(F)F)c2ccc(Sc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)nc12.[Pt]
InChIInChI=1S/C27H15F3N3OS.Pt/c28-27(29,30)20-11-12-23(34)26-19(20)10-13-25(32-26)35-16-8-9-18-17-5-1-2-6-21(17)33(22(18)15-16)24-7-3-4-14-31-24;/h1-14,34H;/q-1;
InChIKeyPGEIHJPEQLJISJ-UHFFFAOYSA-N
MW681.58 g/mol
LogP7.40
Rot. Bonds3

About platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol

platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol (PubChem CID 176605767) has the molecular formula C27H15F3N3OPtS- and a molecular weight of 681.58 g/mol. Its IUPAC name is platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol.

Molecular Properties

Compound Nameplatinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol
PubChem CID176605767
Molecular FormulaC27H15F3N3OPtS-
Molecular Weight681.58 g/mol
Exact Mass681.05
IUPAC Nameplatinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol
SMILESOc1ccc(C(F)(F)F)c2ccc(Sc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)nc12.[Pt]
InChIInChI=1S/C27H15F3N3OS.Pt/c28-27(29,30)20-11-12-23(34)26-19(20)10-13-25(32-26)35-16-8-9-18-17-5-1-2-6-21(17)33(22(18)15-16)24-7-3-4-14-31-24;/h1-14,34H;/q-1;
InChIKeyPGEIHJPEQLJISJ-UHFFFAOYSA-N
XLogP7.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.58
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol?
The IUPAC name of platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol (CID 176605767) is platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol.
What is the SMILES notation for platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol?
The canonical SMILES for platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol is Oc1ccc(C(F)(F)F)c2ccc(Sc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)nc12.[Pt].
What is the InChIKey of platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol?
The InChIKey is PGEIHJPEQLJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F3N3OS.Pt/c28-27(29,30)20-11-12-23(34)26-19(20)10-13-25(32-26)35-16-8-9-18-17-5-1-2-6-21(17)33(22(18)15-16)24-7-3-4-14-31-24;/h1-14,34H;/q-1;.
What are the key properties of platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol?
platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol has a molecular weight of 681.58 g/mol, XLogP of 7.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)sulfanyl]-5-(trifluoromethyl)quinolin-8-ol is sourced from PubChem (CID 176605767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).