6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)

C49H45N3OPt — CID 164727497

About 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)

6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) (PubChem CID 164727497) has the molecular formula C49H45N3OPt and a molecular weight of 887.00 g/mol. Its IUPAC name is 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

• Compound Name: 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)
• PubChem CID: 164727497
• Molecular Formula: C49H45N3OPt
• Molecular Weight: 887.00 g/mol
• Exact Mass: 886.32
• IUPAC Name: 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)
• SMILES: CC1(C)c2ccccc2C(C)(C)C12Cc1cc(Oc3[c-]c(-n4c5ccc(C6CCCCC6)cc5c5cccnc54)ccc3)[c-]c(-c3ccccn3)c1C2.[Pt+2]
• InChI: InChI=1S/C49H45N3O.Pt/c1-47(2)42-19-8-9-20-43(42)48(3,4)49(47)30-34-26-37(29-39(41(34)31-49)44-21-10-11-24-50-44)53-36-17-12-16-35(28-36)52-45-23-22-33(32-14-6-5-7-15-32)27-40(45)38-18-13-25-51-46(38)52;/h8-13,16-27,32H,5-7,14-15,30-31H2,1-4H3;/q-2;+2
• InChIKey: CBFPZXLWUPXTHX-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	887.00
LogP ≤ 5	12.03
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 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The IUPAC name of 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) (CID 164727497) is 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+).

What is the SMILES notation for 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The canonical SMILES for 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) is CC1(C)c2ccccc2C(C)(C)C12Cc1cc(Oc3[c-]c(-n4c5ccc(C6CCCCC6)cc5c5cccnc54)ccc3)[c-]c(-c3ccccn3)c1C2.[Pt+2].

What is the InChIKey of 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

The InChIKey is CBFPZXLWUPXTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H45N3O.Pt/c1-47(2)42-19-8-9-20-43(42)48(3,4)49(47)30-34-26-37(29-39(41(34)31-49)44-21-10-11-24-50-44)53-36-17-12-16-35(28-36)52-45-23-22-33(32-14-6-5-7-15-32)27-40(45)38-18-13-25-51-46(38)52;/h8-13,16-27,32H,5-7,14-15,30-31H2,1-4H3;/q-2;+2.

What are the key properties of 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+)?

6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 887.00 g/mol, XLogP of 12.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclohexyl-9-[3-(1',1',3',3'-tetramethyl-7-pyridin-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,2'-indene]-5-yl)oxybenzene-2-id-1-yl]pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 164727497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).