9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide

C169H109F12N17O5Pt5 — CID 158516879

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide

9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide (PubChem CID 158516879) has the molecular formula C169H109F12N17O5Pt5 and a molecular weight of 3661.21 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
• PubChem CID: 158516879
• Molecular Formula: C169H109F12N17O5Pt5
• Molecular Weight: 3661.21 g/mol
• Exact Mass: 3658.68
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide
• SMILES: Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4cc(C(C)(C)C)ccn4)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cnccn1.[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ncccn1
• InChI: InChI=1S/C39H27F6N3O.C38H22F3N3O.C38H28F3N3O.2C27H16N4O.5Pt/c1-22-9-10-33-30(15-22)31-20-32(39(43,44)45)29(21-34(31)48(33)35-19-25(12-14-46-35)37(2,3)4)24-16-26(38(40,41)42)18-27(17-24)49-36-28-8-6-5-7-23(28)11-13-47-36;1-23-10-13-34-33(16-23)32-12-11-26(19-35(32)44(34)36-20-25-7-2-3-8-27(25)22-43-36)28-17-29(38(39,40)41)21-30(18-28)45-37-31-9-5-4-6-24(31)14-15-42-37;1-23-9-12-33-32(15-23)31-11-10-25(18-34(31)44(33)35-19-24-7-5-6-8-26(24)22-43-35)27-16-29(38(39,40)41)20-30(17-27)45-36-21-28(13-14-42-36)37(2,3)4;1-2-10-24-22(9-1)23-13-12-20(18-25(23)31(24)27-29-15-6-16-30-27)19-7-5-8-21(17-19)32-26-11-3-4-14-28-26;1-2-9-24-22(8-1)23-12-11-20(17-25(23)31(24)26-18-28-14-15-29-26)19-6-5-7-21(16-19)32-27-10-3-4-13-30-27;;;;;/h5-16,18-20H,1-4H3;2-17,20-22H,1H3;5-16,19-22H,1-4H3;1-16H;1-15,18H;;;;;/q5*-2;5*+2
• InChIKey: ZBZXUWUWPQRGDQ-UHFFFAOYSA-N
• XLogP: 44.15
• TPSA: 225.48 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3661.21
LogP ≤ 5	44.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide (CID 158516879) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide is Cc1ccc2c(c1)c1cc(C(F)(F)F)c(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc(C(C)(C)C)ccn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4cc(C(C)(C)C)ccn4)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.Cc1ccc2c(c1)c1ccc(-c3[c-]c(Oc4nccc5ccccc45)cc(C(F)(F)F)c3)[c-]c1n2-c1cc2ccccc2cn1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1cnccn1.[c-]1c(Oc2ccccn2)cccc1-c1[c-]c2c(cc1)c1ccccc1n2-c1ncccn1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide?

The InChIKey is ZBZXUWUWPQRGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F6N3O.C38H22F3N3O.C38H28F3N3O.2C27H16N4O.5Pt/c1-22-9-10-33-30(15-22)31-20-32(39(43,44)45)29(21-34(31)48(33)35-19-25(12-14-46-35)37(2,3)4)24-16-26(38(40,41)42)18-27(17-24)49-36-28-8-6-5-7-23(28)11-13-47-36;1-23-10-13-34-33(16-23)32-12-11-26(19-35(32)44(34)36-20-25-7-2-3-8-27(25)22-43-36)28-17-29(38(39,40)41)21-30(18-28)45-37-31-9-5-4-6-24(31)14-15-42-37;1-23-9-12-33-32(15-23)31-11-10-25(18-34(31)44(33)35-19-24-7-5-6-8-26(24)22-43-35)27-16-29(38(39,40)41)20-30(17-27)45-36-21-28(13-14-42-36)37(2,3)4;1-2-10-24-22(9-1)23-13-12-20(18-25(23)31(24)27-29-15-6-16-30-27)19-7-5-8-21(17-19)32-26-11-3-4-14-28-26;1-2-9-24-22(8-1)23-12-11-20(17-25(23)31(24)26-18-28-14-15-29-26)19-6-5-7-21(16-19)32-27-10-3-4-13-30-27;;;;;/h5-16,18-20H,1-4H3;2-17,20-22H,1H3;5-16,19-22H,1-4H3;1-16H;1-15,18H;;;;;/q5*-2;5*+2.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide?

9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide has a molecular weight of 3661.21 g/mol, XLogP of 44.15, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-3-(trifluoromethyl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-(trifluoromethyl)benzene-2-id-1-yl]-9-isoquinolin-3-yl-6-methyl-1H-carbazol-1-ide;9-isoquinolin-3-yl-2-[3-isoquinolin-1-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-6-methyl-1H-carbazol-1-ide;pentakis(platinum(2+));9-pyrazin-2-yl-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-9-pyrimidin-2-yl-1H-carbazol-1-ide is sourced from PubChem (CID 158516879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).