platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]

C41H27N3OPtS — CID 153492605

About platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]

platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole] (PubChem CID 153492605) has the molecular formula C41H27N3OPtS and a molecular weight of 804.83 g/mol. Its IUPAC name is platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole].

Molecular Properties

• Compound Name: platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]
• PubChem CID: 153492605
• Molecular Formula: C41H27N3OPtS
• Molecular Weight: 804.83 g/mol
• Exact Mass: 804.15
• IUPAC Name: platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-c1nsc2c1C1(C=C2)C2=C(CCCC2)c2ccccc21
• InChI: InChI=1S/C41H27N3OS.Pt/c1-4-15-33-29(12-1)30-13-2-5-16-34(30)41(33)22-21-37-39(41)40(43-46-37)26-10-9-11-27(24-26)45-28-19-20-32-31-14-3-6-17-35(31)44(36(32)25-28)38-18-7-8-23-42-38;/h1,3-4,6-12,14-15,17-23H,2,5,13,16H2;/q-2;+2
• InChIKey: AFDHENJHIXCCSN-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 39.94 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.83
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]?

The IUPAC name of platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole] (CID 153492605) is platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole].

What is the SMILES notation for platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]?

The canonical SMILES for platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole] is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1-c1nsc2c1C1(C=C2)C2=C(CCCC2)c2ccccc21.

What is the InChIKey of platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]?

The InChIKey is AFDHENJHIXCCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3OS.Pt/c1-4-15-33-29(12-1)30-13-2-5-16-34(30)41(33)22-21-37-39(41)40(43-46-37)26-10-9-11-27(24-26)45-28-19-20-32-31-14-3-6-17-35(31)44(36(32)25-28)38-18-7-8-23-42-38;/h1,3-4,6-12,14-15,17-23H,2,5,13,16H2;/q-2;+2.

What are the key properties of platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole]?

platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole] has a molecular weight of 804.83 g/mol, XLogP of 10.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);3'-[3-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]benzene-2-id-1-yl]spiro[1,2,3,4-tetrahydrofluorene-9,4'-cyclopenta[d][1,2]thiazole] is sourced from PubChem (CID 153492605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).