2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

C32H19N5OPt — CID 153411698

About 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411698) has the molecular formula C32H19N5OPt and a molecular weight of 684.62 g/mol. Its IUPAC name is 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 153411698
• Molecular Formula: C32H19N5OPt
• Molecular Weight: 684.62 g/mol
• Exact Mass: 684.12
• IUPAC Name: 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.[Pt+2]
• InChI: InChI=1S/C32H19N5O.Pt/c1-20-34-32-27-18-21(13-15-23(27)24-8-3-5-11-29(24)37(32)35-20)38-22-14-16-26-25-9-2-4-10-28(25)36(30(26)19-22)31-12-6-7-17-33-31;/h2-17H,1H3;/q-2;+2
• InChIKey: JNDZYXDOYZDMQQ-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.62
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (CID 153411698) is 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.[Pt+2].

What is the InChIKey of 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is JNDZYXDOYZDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N5O.Pt/c1-20-34-32-27-18-21(13-15-23(27)24-8-3-5-11-29(24)37(32)35-20)38-22-14-16-26-25-9-2-4-10-28(25)36(30(26)19-22)31-12-6-7-17-33-31;/h2-17H,1H3;/q-2;+2.

What are the key properties of 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 684.62 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 153411698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).