2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C30H18N4OPt — CID 140729496

IUPAC2-(3-indazol-1-ylbenzene-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-n1ncc2ccccc21
InChIInChI=1S/C30H18N4O.Pt/c1-3-12-27-21(8-1)20-32-34(27)22-9-7-10-23(18-22)35-24-15-16-26-25-11-2-4-13-28(25)33(29(26)19-24)30-14-5-6-17-31-30;/h1-17,20H;/q-2;+2
InChIKeyFSSFCIYNZCRCQE-UHFFFAOYSA-N
MW645.58 g/mol
LogP6.91
Rot. Bonds4

About 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140729496) has the molecular formula C30H18N4OPt and a molecular weight of 645.58 g/mol. Its IUPAC name is 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID140729496
Molecular FormulaC30H18N4OPt
Molecular Weight645.58 g/mol
Exact Mass645.11
IUPAC Name2-(3-indazol-1-ylbenzene-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-n1ncc2ccccc21
InChIInChI=1S/C30H18N4O.Pt/c1-3-12-27-21(8-1)20-32-34(27)22-9-7-10-23(18-22)35-24-15-16-26-25-11-2-4-13-28(25)33(29(26)19-24)30-14-5-6-17-31-30;/h1-17,20H;/q-2;+2
InChIKeyFSSFCIYNZCRCQE-UHFFFAOYSA-N
XLogP6.91
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.58
LogP ≤ 56.91
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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Dihydropyrrolopyrazole, 12
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4-(1-Pyridin-2-ylpyrazol-4-yl)quinoline
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N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
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US10954240, Example 19
CID 118917379
US10954240, Example 9
CID 118930220
US10954240, Example 50
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US10954240, Example 49
CID 118930277

Frequently Asked Questions

What is the IUPAC name of 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 140729496) is 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(3-indazol-1-ylbenzene-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-n1ncc2ccccc21.
What is the InChIKey of 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is FSSFCIYNZCRCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4O.Pt/c1-3-12-27-21(8-1)20-32-34(27)22-9-7-10-23(18-22)35-24-15-16-26-25-11-2-4-13-28(25)33(29(26)19-24)30-14-5-6-17-31-30;/h1-17,20H;/q-2;+2.
What are the key properties of 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 645.58 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-indazol-1-ylbenzene-2-id-1-yl)oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140729496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).