9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C34H20N4OPt — CID 140743293

IUPAC9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1cccc2c3ccccc3n(-c3cccc(Oc4cccc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c12
InChIInChI=1S/C34H20N4O.Pt/c1-5-15-27-23(11-1)24-12-2-6-16-28(24)37(27)31-19-9-21-33(35-31)39-34-22-10-20-32(36-34)38-29-17-7-3-13-25(29)26-14-4-8-18-30(26)38;/h1-15,17,19-22H;/q-2;+2
InChIKeyGFPLKNQNXYVZAN-UHFFFAOYSA-N
MW695.64 g/mol
LogP8.06
Rot. Bonds4

About 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140743293) has the molecular formula C34H20N4OPt and a molecular weight of 695.64 g/mol. Its IUPAC name is 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
PubChem CID140743293
Molecular FormulaC34H20N4OPt
Molecular Weight695.64 g/mol
Exact Mass695.13
IUPAC Name9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1cccc2c3ccccc3n(-c3cccc(Oc4cccc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c12
InChIInChI=1S/C34H20N4O.Pt/c1-5-15-27-23(11-1)24-12-2-6-16-28(24)37(27)31-19-9-21-33(35-31)39-34-22-10-20-32(36-34)38-29-17-7-3-13-25(29)26-14-4-8-18-30(26)38;/h1-15,17,19-22H;/q-2;+2
InChIKeyGFPLKNQNXYVZAN-UHFFFAOYSA-N
XLogP8.06
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.64
LogP ≤ 58.06
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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Frequently Asked Questions

What is the IUPAC name of 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 140743293) is 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1cccc2c3ccccc3n(-c3cccc(Oc4cccc(-n5c6[c-]cccc6c6ccccc65)n4)n3)c12.
What is the InChIKey of 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is GFPLKNQNXYVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O.Pt/c1-5-15-27-23(11-1)24-12-2-6-16-28(24)37(27)31-19-9-21-33(35-31)39-34-22-10-20-32(36-34)38-29-17-7-3-13-25(29)26-14-4-8-18-30(26)38;/h1-15,17,19-22H;/q-2;+2.
What are the key properties of 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?
9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 695.64 g/mol, XLogP of 8.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[[6-(1H-carbazol-1-id-9-yl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140743293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).