2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))

C200H146F6IrN11O2Pt4- — CID 159076206

IUPAC2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(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.CCCCCCOc1cc2c(cc1OCCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[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].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C50H50NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.Ir.4Pt/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;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;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;;;;;/h11-14,17-18,20-25,28-33H,5-10,15-16,26-27H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;;;;;/q-1;4*-2;;4*+2
InChIKeyBUPNCZWVVGRGBS-UHFFFAOYSA-N
MW3821.96 g/mol
LogP48.03
Rot. Bonds30

About 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))

2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)) (PubChem CID 159076206) has the molecular formula C200H146F6IrN11O2Pt4- and a molecular weight of 3821.96 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)).

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))
PubChem CID159076206
Molecular FormulaC200H146F6IrN11O2Pt4-
Molecular Weight3821.96 g/mol
Exact Mass3819.98
IUPAC Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(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.CCCCCCOc1cc2c(cc1OCCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[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].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C50H50NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.Ir.4Pt/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;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;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;;;;;/h11-14,17-18,20-25,28-33H,5-10,15-16,26-27H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;;;;;/q-1;4*-2;;4*+2
InChIKeyBUPNCZWVVGRGBS-UHFFFAOYSA-N
XLogP48.03
TPSA162.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003821.96
LogP ≤ 548.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(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-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))?
The IUPAC name of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)) (CID 159076206) is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)).
What is the SMILES notation for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))?
The canonical SMILES for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(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.CCCCCCOc1cc2c(cc1OCCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.Fc1c[c-]c(-c2cccc(C3(c4cccc(-c5[c-]cc(F)cc5F)n4)c4ccccc4-c4ccccc43)n2)c(F)c1.[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].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))?
The InChIKey is BUPNCZWVVGRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50NO2.C43H38N2.C37H18F2N4.C35H18F4N2.C35H22N2.Ir.4Pt/c1-5-7-9-15-26-52-48-32-42-40-28-34(3)35(4)29-45(40)50(46(42)33-49(48)53-27-16-10-8-6-2)43-21-12-11-20-39(43)41-31-37(23-24-44(41)50)36-18-17-19-38(30-36)47-22-13-14-25-51-47;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;36-21-15-17-25(29(38)19-21)31-11-5-13-33(40-31)35(27-9-3-1-7-23(27)24-8-2-4-10-28(24)35)34-14-6-12-32(41-34)26-18-16-22(37)20-30(26)39;1-3-13-25(14-4-1)31-21-11-23-33(36-31)35(34-24-12-22-32(37-34)26-15-5-2-6-16-26)29-19-9-7-17-27(29)28-18-8-10-20-30(28)35;;;;;/h11-14,17-18,20-25,28-33H,5-10,15-16,26-27H2,1-4H3;7-15,17,19-28H,1-6H3;2-15,18-21H;1-16,19-20H;1-13,15,17-24H;;;;;/q-1;4*-2;;4*+2.
What are the key properties of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+))?
2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)) has a molecular weight of 3821.96 g/mol, XLogP of 48.03, 30 rotatable bonds, 0 hydrogen bond donors, and 12 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-(2,4-difluorobenzene-6-id-1-yl)-6-[9-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-[3-(2',3'-dihexoxy-6',7'-dimethyl-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;2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;tetrakis(platinum(2+)) is sourced from PubChem (CID 159076206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).