[2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)

C32H25N3O2Pt — CID 153421090

About [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)

[2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+) (PubChem CID 153421090) has the molecular formula C32H25N3O2Pt and a molecular weight of 678.65 g/mol. Its IUPAC name is [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+).

Molecular Properties

• Compound Name: [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)
• PubChem CID: 153421090
• Molecular Formula: C32H25N3O2Pt
• Molecular Weight: 678.65 g/mol
• Exact Mass: 678.16
• IUPAC Name: [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)
• SMILES: Cc1cc(Oc2cc(C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2n3-c2cc(CO)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C32H25N3O2.Pt/c1-20-4-7-29-28(14-20)27-6-5-24(18-30(27)35(29)31-16-23(19-36)9-11-33-31)25-12-22(3)13-26(17-25)37-32-15-21(2)8-10-34-32;/h4-16,36H,19H2,1-3H3;/q-2;+2
• InChIKey: YXBPIKDHRKNBAK-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.65
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)?

The IUPAC name of [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+) (CID 153421090) is [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+).

What is the SMILES notation for [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)?

The canonical SMILES for [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+) is Cc1cc(Oc2cc(C)ccn2)[c-]c(-c2[c-]c3c(cc2)c2cc(C)ccc2n3-c2cc(CO)ccn2)c1.[Pt+2].

What is the InChIKey of [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)?

The InChIKey is YXBPIKDHRKNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O2.Pt/c1-20-4-7-29-28(14-20)27-6-5-24(18-30(27)35(29)31-16-23(19-36)9-11-33-31)25-12-22(3)13-26(17-25)37-32-15-21(2)8-10-34-32;/h4-16,36H,19H2,1-3H3;/q-2;+2.

What are the key properties of [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+)?

[2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+) has a molecular weight of 678.65 g/mol, XLogP of 7.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-methyl-2-[3-methyl-5-[(4-methyl-2-pyridinyl)oxy]benzene-6-id-1-yl]-1H-carbazol-1-id-9-yl]-4-pyridinyl]methanol;platinum(2+) is sourced from PubChem (CID 153421090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).