2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)

C29H20N4O2Pt — CID 153421526

IUPAC2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESCOc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cnc(C)cn2)c1.[Pt+2]
InChIInChI=1S/C29H20N4O2.Pt/c1-19-17-32-28(18-31-19)33-26-8-4-3-7-24(26)25-11-10-20(15-27(25)33)21-13-22(34-2)16-23(14-21)35-29-9-5-6-12-30-29;/h3-13,16-18H,1-2H3;/q-2;+2
InChIKeyGVBUEIRLIFCELH-UHFFFAOYSA-N
MW651.58 g/mol
LogP6.34
Rot. Bonds5

About 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)

2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421526) has the molecular formula C29H20N4O2Pt and a molecular weight of 651.58 g/mol. Its IUPAC name is 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421526
Molecular FormulaC29H20N4O2Pt
Molecular Weight651.58 g/mol
Exact Mass651.12
IUPAC Name2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)
SMILESCOc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cnc(C)cn2)c1.[Pt+2]
InChIInChI=1S/C29H20N4O2.Pt/c1-19-17-32-28(18-31-19)33-26-8-4-3-7-24(26)25-11-10-20(15-27(25)33)21-13-22(34-2)16-23(14-21)35-29-9-5-6-12-30-29;/h3-13,16-18H,1-2H3;/q-2;+2
InChIKeyGVBUEIRLIFCELH-UHFFFAOYSA-N
XLogP6.34
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.58
LogP ≤ 56.34
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+) (CID 153421526) is 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+) is COc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)c2ccccc2n3-c2cnc(C)cn2)c1.[Pt+2].
What is the InChIKey of 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is GVBUEIRLIFCELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O2.Pt/c1-19-17-32-28(18-31-19)33-26-8-4-3-7-24(26)25-11-10-20(15-27(25)33)21-13-22(34-2)16-23(14-21)35-29-9-5-6-12-30-29;/h3-13,16-18H,1-2H3;/q-2;+2.
What are the key properties of 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+)?
2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 651.58 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-(5-methylpyrazin-2-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).