2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

C189H141N15Pd5S5 — CID 160674060

About 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole

2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (PubChem CID 160674060) has the molecular formula C189H141N15Pd5S5 and a molecular weight of 3314.75 g/mol. Its IUPAC name is 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
• PubChem CID: 160674060
• Molecular Formula: C189H141N15Pd5S5
• Molecular Weight: 3314.75 g/mol
• Exact Mass: 3309.53
• IUPAC Name: 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole
• SMILES: CC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.CC(C)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C47H39N3S.C39H23N3S.C39H25N3S.C35H33N3S.C29H21N3S.5Pd/c1-45(2,3)31-18-21-39-37(28-31)38-29-32(46(4,5)6)19-22-40(38)47(39,43-16-9-10-23-48-43)33-12-11-13-34(27-33)50-41-15-8-7-14-35(41)36-20-17-30(26-42(36)50)44-49-24-25-51-44;1-4-15-33-29(12-1)30-13-2-5-16-34(30)39(33,37-18-7-8-21-40-37)27-10-9-11-28(25-27)42-35-17-6-3-14-31(35)32-20-19-26(24-36(32)42)38-41-22-23-43-38;1-3-12-29(13-4-1)39(30-14-5-2-6-15-30,37-20-9-10-23-40-37)31-16-11-17-32(27-31)42-35-19-8-7-18-33(35)34-22-21-28(26-36(34)42)38-41-24-25-43-38;1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-29(2,27-12-5-6-15-30-27)21-8-7-9-22(19-21)32-25-11-4-3-10-23(25)24-14-13-20(18-26(24)32)28-31-16-17-33-28;;;;;/h7-25,28-29H,1-6H3;1-23H;1-25H;7-21H,1-6H3;3-17H,1-2H3;;;;;/q5*-2;5*+2
• InChIKey: USJISWDUCMDIFH-UHFFFAOYSA-N
• XLogP: 46.91
• TPSA: 153.55 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3314.75
LogP ≤ 5	46.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The IUPAC name of 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole (CID 160674060) is 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole.

What is the SMILES notation for 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The canonical SMILES for 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is CC(C)(C)C(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)(c1ccccn1)C(C)(C)C.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.CC(C)(c1[c-]c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)ccc1)c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C(c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1c(-n2c3[c-]c(-c4nccs4)ccc3c3ccccc32)cccc1C1(c2ccccn2)c2ccccc2-c2ccccc21.

What is the InChIKey of 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

The InChIKey is USJISWDUCMDIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3S.C39H23N3S.C39H25N3S.C35H33N3S.C29H21N3S.5Pd/c1-45(2,3)31-18-21-39-37(28-31)38-29-32(46(4,5)6)19-22-40(38)47(39,43-16-9-10-23-48-43)33-12-11-13-34(27-33)50-41-15-8-7-14-35(41)36-20-17-30(26-42(36)50)44-49-24-25-51-44;1-4-15-33-29(12-1)30-13-2-5-16-34(30)39(33,37-18-7-8-21-40-37)27-10-9-11-28(25-27)42-35-17-6-3-14-31(35)32-20-19-26(24-36(32)42)38-41-22-23-43-38;1-3-12-29(13-4-1)39(30-14-5-2-6-15-30,37-20-9-10-23-40-37)31-16-11-17-32(27-31)42-35-19-8-7-18-33(35)34-22-21-28(26-36(34)42)38-41-24-25-43-38;1-33(2,3)35(34(4,5)6,31-16-9-10-19-36-31)25-12-11-13-26(23-25)38-29-15-8-7-14-27(29)28-18-17-24(22-30(28)38)32-37-20-21-39-32;1-29(2,27-12-5-6-15-30-27)21-8-7-9-22(19-21)32-25-11-4-3-10-23(25)24-14-13-20(18-26(24)32)28-31-16-17-33-28;;;;;/h7-25,28-29H,1-6H3;1-23H;1-25H;7-21H,1-6H3;3-17H,1-2H3;;;;;/q5*-2;5*+2.

What are the key properties of 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole?

2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole has a molecular weight of 3314.75 g/mol, XLogP of 46.91, 22 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-[diphenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;pentakis(palladium(2+));2-[9-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole;2-[9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-thiazole is sourced from PubChem (CID 160674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).