tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine

C102H60N12O7Pt3S — CID 158261934

About tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine

tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine (PubChem CID 158261934) has the molecular formula C102H60N12O7Pt3S and a molecular weight of 2182.98 g/mol. Its IUPAC name is tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

• Compound Name: tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine
• PubChem CID: 158261934
• Molecular Formula: C102H60N12O7Pt3S
• Molecular Weight: 2182.98 g/mol
• Exact Mass: 2181.34
• IUPAC Name: tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine
• SMILES: [Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)cccc1N1c2ccccc2Oc2cccnc21.[c-]1c(Oc2[c-]c(N3c4ccccc4Sc4cccnc43)ccc2)cccc1N1c2ccccc2Oc2cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1c2ccccc2Oc2cccnc21
• InChI: InChI=1S/C34H20N4O3.C34H20N4O2S.C34H20N4O2.3Pt/c1-3-15-29-27(13-1)37(33-31(40-29)17-7-19-35-33)23-9-5-11-25(21-23)39-26-12-6-10-24(22-26)38-28-14-2-4-16-30(28)41-32-18-8-20-36-34(32)38;1-3-15-29-27(13-1)37(33-30(40-29)16-7-19-35-33)23-9-5-11-25(21-23)39-26-12-6-10-24(22-26)38-28-14-2-4-17-31(28)41-32-18-8-20-36-34(32)38;1-2-12-28-26(11-1)27-18-17-25(22-30(27)38(28)33-16-5-6-19-35-33)39-24-10-7-9-23(21-24)37-29-13-3-4-14-31(29)40-32-15-8-20-36-34(32)37;;;/h2*1-20H;1-20H;;;/q3*-2;3*+2
• InChIKey: OOCCAKBQGAYMFB-UHFFFAOYSA-N
• XLogP: 26.93
• TPSA: 163.08 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.98
LogP ≤ 5	26.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine?

The IUPAC name of tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine (CID 158261934) is tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine.

What is the SMILES notation for tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine?

The canonical SMILES for tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine is [Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(N3c4ccccc4Oc4cccnc43)ccc2)cccc1N1c2ccccc2Oc2cccnc21.[c-]1c(Oc2[c-]c(N3c4ccccc4Sc4cccnc43)ccc2)cccc1N1c2ccccc2Oc2cccnc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1c2ccccc2Oc2cccnc21.

What is the InChIKey of tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine?

The InChIKey is OOCCAKBQGAYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O3.C34H20N4O2S.C34H20N4O2.3Pt/c1-3-15-29-27(13-1)37(33-31(40-29)17-7-19-35-33)23-9-5-11-25(21-23)39-26-12-6-10-24(22-26)38-28-14-2-4-16-30(28)41-32-18-8-20-36-34(32)38;1-3-15-29-27(13-1)37(33-30(40-29)16-7-19-35-33)23-9-5-11-25(21-23)39-26-12-6-10-24(22-26)38-28-14-2-4-17-31(28)41-32-18-8-20-36-34(32)38;1-2-12-28-26(11-1)27-18-17-25(22-30(27)38(28)33-16-5-6-19-35-33)39-24-10-7-9-23(21-24)37-29-13-3-4-14-31(29)40-32-15-8-20-36-34(32)37;;;/h2*1-20H;1-20H;;;/q3*-2;3*+2.

What are the key properties of tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine?

tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine has a molecular weight of 2182.98 g/mol, XLogP of 26.93, 12 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tris(platinum(2+));10-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzothiazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine;10-[3-(3-pyrido[3,2-b][1,4]benzoxazin-10-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 158261934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).