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

C31H19N5OPt — CID 140730526

IUPACplatinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C31H19N5O.Pt/c1-2-11-29-27(10-1)28-14-13-26(18-30(28)36(29)31-12-3-4-16-33-31)37-25-9-5-8-24(17-25)35-21-23(20-34-35)22-7-6-15-32-19-22;/h1-16,19-21H;/q-2;+2
InChIKeySGNSNLYDOVXFQJ-UHFFFAOYSA-N
MW672.61 g/mol
LogP6.82
Rot. Bonds5

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

platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (PubChem CID 140730526) has the molecular formula C31H19N5OPt and a molecular weight of 672.61 g/mol. Its IUPAC name is platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.

Molecular Properties

Compound Nameplatinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
PubChem CID140730526
Molecular FormulaC31H19N5OPt
Molecular Weight672.61 g/mol
Exact Mass672.12
IUPAC Nameplatinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2cccnc2)cn1
InChIInChI=1S/C31H19N5O.Pt/c1-2-11-29-27(10-1)28-14-13-26(18-30(28)36(29)31-12-3-4-16-33-31)37-25-9-5-8-24(17-25)35-21-23(20-34-35)22-7-6-15-32-19-22;/h1-16,19-21H;/q-2;+2
InChIKeySGNSNLYDOVXFQJ-UHFFFAOYSA-N
XLogP6.82
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.61
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
4-[2-Methyl-3-[1-(quinolin-2-ylmethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71139236
US10954240, Example 47
CID 118930313
Dihydropyrrolopyrazole, 12
CID 21992881
4-[8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine
CID 127043472
3-Pyridin-3-yl-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 58515204
US11186582, Example 127
CID 118470951
US10954240, Example 1
CID 118917375
US10954240, Example 19
CID 118917379
US10954240, Example 50
CID 118930273
US10954240, Example 49
CID 118930277
US10023570, Example 323
CID 124199435

Frequently Asked Questions

What is the IUPAC name of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The IUPAC name of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide (CID 140730526) is platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide.
What is the SMILES notation for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The canonical SMILES for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-n1cc(-c2cccnc2)cn1.
What is the InChIKey of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
The InChIKey is SGNSNLYDOVXFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O.Pt/c1-2-11-29-27(10-1)28-14-13-26(18-30(28)36(29)31-12-3-4-16-33-31)37-25-9-5-8-24(17-25)35-21-23(20-34-35)22-7-6-15-32-19-22;/h1-16,19-21H;/q-2;+2.
What are the key properties of platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide?
platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide has a molecular weight of 672.61 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);9-pyridin-2-yl-2-[3-(4-pyridin-3-ylpyrazol-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide is sourced from PubChem (CID 140730526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).