10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide

C161H131Au4N17OS2 — CID 158228513

About 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide

10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide (PubChem CID 158228513) has the molecular formula C161H131Au4N17OS2 and a molecular weight of 3171.94 g/mol. Its IUPAC name is 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide.

Molecular Properties

• Compound Name: 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide
• PubChem CID: 158228513
• Molecular Formula: C161H131Au4N17OS2
• Molecular Weight: 3171.94 g/mol
• Exact Mass: 3169.88
• IUPAC Name: 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide
• SMILES: CCCCC(CCCC)(c1[c-]c(N2c3[c-]c(-c4ncc[n-]4)ccc3Sc3ccccc32)ccc1)c1ccccn1.Cc1cc(-c2[c-]c3c(cc2)N(C)c2ccccc2N3c2[c-]c(C(c3ccccc3)c3ccccn3)ccc2)[n-]n1.Cc1cc(-c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(C3(c4ccccn4)c4ccccc4C(C)(C)c4ccccc43)ccc2)[n-]n1.Cc1cc(-c2[c-]c3c(cc2)Sc2ccccc2N3c2[c-]c(C3(c4ccccn4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)ccc2)[n-]n1.[Au+3].[Au+3].[Au+3].[Au+3]
• InChI: InChI=1S/C48H41N4S.C43H31N4O.C35H26N5.C35H33N4S.4Au/c1-30-25-40(51-50-30)31-18-23-44-42(26-31)52(41-15-8-9-16-43(41)53-44)35-14-12-13-34(27-35)48(45-17-10-11-24-49-45)38-28-32(46(2,3)4)19-21-36(38)37-22-20-33(29-39(37)48)47(5,6)7;1-28-25-36(46-45-28)29-22-23-40-38(26-29)47(37-19-8-9-20-39(37)48-40)31-14-12-13-30(27-31)43(41-21-10-11-24-44-41)34-17-6-4-15-32(34)42(2,3)33-16-5-7-18-35(33)43;1-24-21-30(38-37-24)26-18-19-32-34(23-26)40(33-17-7-6-16-31(33)39(32)2)28-14-10-13-27(22-28)35(25-11-4-3-5-12-25)29-15-8-9-20-36-29;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)39-29-14-7-8-15-31(29)40-32-18-17-26(24-30(32)39)34-37-22-23-38-34;;;;/h8-25,28-29H,1-7H3;4-25H,1-3H3;3-21,35H,1-2H3;7-18,21-23H,3-6,19-20H2,1-2H3;;;;/q4*-3;4*+3
• InChIKey: JFQPMPIDAKQCIR-UHFFFAOYSA-N
• XLogP: 38.54
• TPSA: 184.95 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3171.94
LogP ≤ 5	38.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide?

The IUPAC name of 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide (CID 158228513) is 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide.

What is the SMILES notation for 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide?

The canonical SMILES for 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide is CCCCC(CCCC)(c1[c-]c(N2c3[c-]c(-c4ncc[n-]4)ccc3Sc3ccccc32)ccc1)c1ccccn1.Cc1cc(-c2[c-]c3c(cc2)N(C)c2ccccc2N3c2[c-]c(C(c3ccccc3)c3ccccn3)ccc2)[n-]n1.Cc1cc(-c2[c-]c3c(cc2)Oc2ccccc2N3c2[c-]c(C3(c4ccccn4)c4ccccc4C(C)(C)c4ccccc43)ccc2)[n-]n1.Cc1cc(-c2[c-]c3c(cc2)Sc2ccccc2N3c2[c-]c(C3(c4ccccn4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)ccc2)[n-]n1.[Au+3].[Au+3].[Au+3].[Au+3].

What is the InChIKey of 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide?

The InChIKey is JFQPMPIDAKQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41N4S.C43H31N4O.C35H26N5.C35H33N4S.4Au/c1-30-25-40(51-50-30)31-18-23-44-42(26-31)52(41-15-8-9-16-43(41)53-44)35-14-12-13-34(27-35)48(45-17-10-11-24-49-45)38-28-32(46(2,3)4)19-21-36(38)37-22-20-33(29-39(37)48)47(5,6)7;1-28-25-36(46-45-28)29-22-23-40-38(26-29)47(37-19-8-9-20-39(37)48-40)31-14-12-13-30(27-31)43(41-21-10-11-24-44-41)34-17-6-4-15-32(34)42(2,3)33-16-5-7-18-35(33)43;1-24-21-30(38-37-24)26-18-19-32-34(23-26)40(33-17-7-6-16-31(33)39(32)2)28-14-10-13-27(22-28)35(25-11-4-3-5-12-25)29-15-8-9-20-36-29;1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)39-29-14-7-8-15-31(29)40-32-18-17-26(24-30(32)39)34-37-22-23-38-34;;;;/h8-25,28-29H,1-7H3;4-25H,1-3H3;3-21,35H,1-2H3;7-18,21-23H,3-6,19-20H2,1-2H3;;;;/q4*-3;4*+3.

What are the key properties of 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide?

10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide has a molecular weight of 3171.94 g/mol, XLogP of 38.54, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenothiazin-1-ide;10-[3-(10,10-dimethyl-9-pyridin-2-ylanthracen-9-yl)benzene-2-id-1-yl]-2-(5-methylpyrazol-2-id-3-yl)-1H-phenoxazin-1-ide;tetrakis(gold(3+));2-imidazol-3-id-2-yl-10-[3-(5-pyridin-2-ylnonan-5-yl)benzene-2-id-1-yl]-1H-phenothiazin-1-ide;5-methyl-2-(5-methylpyrazol-2-id-3-yl)-10-[3-[phenyl(pyridin-2-yl)methyl]benzene-2-id-1-yl]-1H-phenazin-1-ide is sourced from PubChem (CID 158228513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).