platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline

C37H22N2OPtS — CID 162461860

About platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline

platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline (PubChem CID 162461860) has the molecular formula C37H22N2OPtS and a molecular weight of 737.74 g/mol. Its IUPAC name is platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline.

Molecular Properties

• Compound Name: platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline
• PubChem CID: 162461860
• Molecular Formula: C37H22N2OPtS
• Molecular Weight: 737.74 g/mol
• Exact Mass: 737.11
• IUPAC Name: platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c(-c3cc4ccccc4cn3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C37H22N2OS.Pt/c1-2-11-26-23-39-34(20-25(26)10-1)27-21-36(41-24-27)40-29-13-9-12-28(22-29)37(35-18-7-8-19-38-35)32-16-5-3-14-30(32)31-15-4-6-17-33(31)37;/h1-20,23-24H;/q-2;+2
• InChIKey: QKFDEPIVNCIEJT-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.74
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline?

The IUPAC name of platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline (CID 162461860) is platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline.

What is the SMILES notation for platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline?

The canonical SMILES for platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline is [Pt+2].[c-]1c(Oc2[c-]c(-c3cc4ccccc4cn3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.

What is the InChIKey of platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline?

The InChIKey is QKFDEPIVNCIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2OS.Pt/c1-2-11-26-23-39-34(20-25(26)10-1)27-21-36(41-24-27)40-29-13-9-12-28(22-29)37(35-18-7-8-19-38-35)32-16-5-3-14-30(32)31-15-4-6-17-33(31)37;/h1-20,23-24H;/q-2;+2.

What are the key properties of platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline?

platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline has a molecular weight of 737.74 g/mol, XLogP of 9.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);3-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]isoquinoline is sourced from PubChem (CID 162461860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).