9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))

C135H105F5Ir2N14O2Pt2-2 — CID 161201718

IUPAC9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))
SMILESCC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Ir].[Pt+2].[Pt+2].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H24N2.C28H27N2.C27H18N4.C22H14F5N5.C17H14N.C5H8O2.2Ir.2Pt/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-4(6)3-5(2)7;;;;/h1-24H;6-11,13-15,17H,16H2,1-5H3;4-8,11-17H,1-2H3;3-8,10-11H,1-2H3;3-10H,1-2H3;3,6H,1-2H3;;;;/q;-1;2*-2;-1;;;;2*+2
InChIKeyGJSPDLOWSHINND-UHFFFAOYSA-N
MW2825.00 g/mol
LogP33.31
Rot. Bonds15

About 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))

9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) (PubChem CID 161201718) has the molecular formula C135H105F5Ir2N14O2Pt2-2 and a molecular weight of 2825.00 g/mol. Its IUPAC name is 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)).

Molecular Properties

Compound Name9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))
PubChem CID161201718
Molecular FormulaC135H105F5Ir2N14O2Pt2-2
Molecular Weight2825.00 g/mol
Exact Mass2824.70
IUPAC Name9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))
SMILESCC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Ir].[Pt+2].[Pt+2].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C36H24N2.C28H27N2.C27H18N4.C22H14F5N5.C17H14N.C5H8O2.2Ir.2Pt/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-4(6)3-5(2)7;;;;/h1-24H;6-11,13-15,17H,16H2,1-5H3;4-8,11-17H,1-2H3;3-8,10-11H,1-2H3;3-10H,1-2H3;3,6H,1-2H3;;;;/q;-1;2*-2;-1;;;;2*+2
InChIKeyGJSPDLOWSHINND-UHFFFAOYSA-N
XLogP33.31
TPSA187.77 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002825.00
LogP ≤ 533.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))?
The IUPAC name of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) (CID 161201718) is 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)).
What is the SMILES notation for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))?
The canonical SMILES for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) is CC(=O)C=C(C)O.CC(C)(c1cccc(-c2[c-]cc(F)nc2F)n1)c1cccc(-n2[c-]cc(C(F)(F)F)n2)n1.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)ccc3n12.[C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]ccc(C#N)c4)n3)n2)c1.[Ir].[Ir].[Pt+2].[Pt+2].c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))?
The InChIKey is GJSPDLOWSHINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2.C28H27N2.C27H18N4.C22H14F5N5.C17H14N.C5H8O2.2Ir.2Pt/c1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38;1-18-9-8-10-19(2)26(18)25-17-29-27-22-12-7-6-11-21(22)23-15-20(16-28(3,4)5)13-14-24(23)30(25)27;1-27(2,25-14-6-12-23(30-25)20-9-4-8-19(16-20)18-28)26-15-7-13-24(31-26)21-10-5-11-22(17-21)29-3;1-21(2,15-6-3-5-14(28-15)13-9-10-18(23)30-20(13)24)16-7-4-8-19(29-16)32-12-11-17(31-32)22(25,26)27;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-4(6)3-5(2)7;;;;/h1-24H;6-11,13-15,17H,16H2,1-5H3;4-8,11-17H,1-2H3;3-8,10-11H,1-2H3;3-10H,1-2H3;3,6H,1-2H3;;;;/q;-1;2*-2;-1;;;;2*+2.
What are the key properties of 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+))?
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) has a molecular weight of 2825.00 g/mol, XLogP of 33.31, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;4-hydroxypent-3-en-2-one;bis(iridium);3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(platinum(2+)) is sourced from PubChem (CID 161201718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).