4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)

C30H21N2OPPt — CID 153421022

About 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)

4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+) (PubChem CID 153421022) has the molecular formula C30H21N2OPPt and a molecular weight of 651.56 g/mol. Its IUPAC name is 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)
• PubChem CID: 153421022
• Molecular Formula: C30H21N2OPPt
• Molecular Weight: 651.56 g/mol
• Exact Mass: 651.10
• IUPAC Name: 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)
• SMILES: Cc1ccc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3p4-c3cc(C)ccn3)ccc2)nc1.[Pt+2]
• InChI: InChI=1S/C30H21N2OP.Pt/c1-20-14-15-31-30(16-20)34-27-9-4-3-8-25(27)26-12-11-23(18-28(26)34)22-6-5-7-24(17-22)33-29-13-10-21(2)19-32-29;/h3-16,19H,1-2H3;/q-2;+2
• InChIKey: KVXXWLYHKGLAAM-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.56
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)?

The IUPAC name of 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+) (CID 153421022) is 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+).

What is the SMILES notation for 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)?

The canonical SMILES for 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+) is Cc1ccc(Oc2[c-]c(-c3[c-]c4c(cc3)c3ccccc3p4-c3cc(C)ccn3)ccc2)nc1.[Pt+2].

What is the InChIKey of 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)?

The InChIKey is KVXXWLYHKGLAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N2OP.Pt/c1-20-14-15-31-30(16-20)34-27-9-4-3-8-25(27)26-12-11-23(18-28(26)34)22-6-5-7-24(17-22)33-29-13-10-21(2)19-32-29;/h3-16,19H,1-2H3;/q-2;+2.

What are the key properties of 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)?

4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+) has a molecular weight of 651.56 g/mol, XLogP of 8.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[3-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+) is sourced from PubChem (CID 153421022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).