tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole

C105H61N7O4Pt3S4 — CID 158347732

About tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole

tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole (PubChem CID 158347732) has the molecular formula C105H61N7O4Pt3S4 and a molecular weight of 2198.19 g/mol. Its IUPAC name is tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole
• PubChem CID: 158347732
• Molecular Formula: C105H61N7O4Pt3S4
• Molecular Weight: 2198.19 g/mol
• Exact Mass: 2196.26
• IUPAC Name: tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(-c3nc4ccccc4s3)co2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c(-c3nc4ccccc4s3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]n(-c3nc4ccccc4s3)cc2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C35H21N3OS.C35H20N2O2S.C35H20N2OS2.3Pt/c1-3-14-29-27(12-1)28-13-2-4-15-30(28)35(29,33-18-7-8-20-36-33)24-10-9-11-25(22-24)39-26-19-21-38(23-26)34-37-31-16-5-6-17-32(31)40-34;1-3-14-28-26(12-1)27-13-2-4-15-29(27)35(28,32-18-7-8-19-36-32)24-10-9-11-25(21-24)39-33-20-23(22-38-33)34-37-30-16-5-6-17-31(30)40-34;1-3-14-28-26(12-1)27-13-2-4-15-29(27)35(28,32-18-7-8-19-36-32)24-10-9-11-25(21-24)38-33-20-23(22-39-33)34-37-30-16-5-6-17-31(30)40-34;;;/h1-21H;2*1-19,22H;;;/q3*-2;3*+2
• InChIKey: JGPBJSMZENMIAK-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 123.10 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.19
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole (CID 158347732) is tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole.

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

The canonical SMILES for tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole is [Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(-c3nc4ccccc4s3)co2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]c(-c3nc4ccccc4s3)cs2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.[c-]1c(Oc2[c-]n(-c3nc4ccccc4s3)cc2)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.

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

The InChIKey is JGPBJSMZENMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3OS.C35H20N2O2S.C35H20N2OS2.3Pt/c1-3-14-29-27(12-1)28-13-2-4-15-30(28)35(29,33-18-7-8-20-36-33)24-10-9-11-25(22-24)39-26-19-21-38(23-26)34-37-31-16-5-6-17-32(31)40-34;1-3-14-28-26(12-1)27-13-2-4-15-29(27)35(28,32-18-7-8-19-36-32)24-10-9-11-25(21-24)39-33-20-23(22-38-33)34-37-30-16-5-6-17-31(30)40-34;1-3-14-28-26(12-1)27-13-2-4-15-29(27)35(28,32-18-7-8-19-36-32)24-10-9-11-25(21-24)38-33-20-23(22-39-33)34-37-30-16-5-6-17-31(30)40-34;;;/h1-21H;2*1-19,22H;;;/q3*-2;3*+2.

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

tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole has a molecular weight of 2198.19 g/mol, XLogP of 26.11, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tris(platinum(2+));2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-furan-3-id-4-yl]-1,3-benzothiazole;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-2H-pyrrol-2-id-1-yl]-1,3-benzothiazole;2-[2-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxy-3H-thiophen-3-id-4-yl]-1,3-benzothiazole is sourced from PubChem (CID 158347732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).