2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))

C128H102F2IrN7O2Pt2- — CID 161267159

IUPAC2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.CCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Pt+2].[Pt+2]
InChIInChI=1S/C48H46NO2.C43H38N2.C37H18F2N4.Ir.2Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;;;/q-1;2*-2;;2*+2
InChIKeyKYVNAHPCJACJAV-UHFFFAOYSA-N
MW2390.64 g/mol
LogP31.15
Rot. Bonds20

About 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))

2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) (PubChem CID 161267159) has the molecular formula C128H102F2IrN7O2Pt2- and a molecular weight of 2390.64 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)).

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))
PubChem CID161267159
Molecular FormulaC128H102F2IrN7O2Pt2-
Molecular Weight2390.64 g/mol
Exact Mass2389.70
IUPAC Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))
SMILESCC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.CCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Pt+2].[Pt+2]
InChIInChI=1S/C48H46NO2.C43H38N2.C37H18F2N4.Ir.2Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;;;/q-1;2*-2;;2*+2
InChIKeyKYVNAHPCJACJAV-UHFFFAOYSA-N
XLogP31.15
TPSA111.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms142
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002390.64
LogP ≤ 531.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))?
The IUPAC name of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) (CID 161267159) is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)).
What is the SMILES notation for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))?
The canonical SMILES for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) is CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.CCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Pt+2].[Pt+2].
What is the InChIKey of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))?
The InChIKey is KYVNAHPCJACJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46NO2.C43H38N2.C37H18F2N4.Ir.2Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41(2,3)31-23-25-33-34-26-24-32(42(4,5)6)28-36(34)43(35(33)27-31,39-21-13-19-37(44-39)29-15-9-7-10-16-29)40-22-14-20-38(45-40)30-17-11-8-12-18-30;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;;;/q-1;2*-2;;2*+2.
What are the key properties of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+))?
2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) has a molecular weight of 2390.64 g/mol, XLogP of 31.15, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;iridium;bis(platinum(2+)) is sourced from PubChem (CID 161267159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).