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

C33H26N4OPt — CID 153421420

IUPAC2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2
InChIKeyDJLQXYJXJOGCMY-UHFFFAOYSA-N
MW689.68 g/mol
LogP7.62
Rot. Bonds5

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

2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 153421420) has the molecular formula C33H26N4OPt and a molecular weight of 689.68 g/mol. Its IUPAC name is 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
PubChem CID153421420
Molecular FormulaC33H26N4OPt
Molecular Weight689.68 g/mol
Exact Mass689.18
IUPAC Name2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1
InChIInChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2
InChIKeyDJLQXYJXJOGCMY-UHFFFAOYSA-N
XLogP7.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.68
LogP ≤ 57.62
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 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 153421420) is 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2cc(N3CCCCC3)ccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.
What is the InChIKey of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is DJLQXYJXJOGCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O.Pt/c1-6-19-36(20-7-1)26-16-18-35-33(23-26)38-27-10-8-9-24(21-27)25-14-15-29-28-11-2-3-12-30(28)37(31(29)22-25)32-13-4-5-17-34-32;/h2-5,8-18,23H,1,6-7,19-20H2;/q-2;+2.
What are the key properties of 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?
2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 689.68 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-piperidin-1-yl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 153421420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).