2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C162H147F3Ir3N13O2OsP2Pt2- — CID 160836735

IUPAC2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Os+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C43H38N2.C35H22N2.C21H22N.2C12H10N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.3Ir.Os.2Pt/c1-41(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;1-3-13-25(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;1-14(2)9-17-13-21(18-11-15(3)10-16(4)12-18)22-20-8-6-5-7-19(17)20;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;/h7-15,17,19-28H,1-6H3;1-13,15,17-24H;5-8,10-11,13-14H,9H2,1-4H3;2-7,9H,1H3;2-5,7-9H,1H3;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;/q2*-2;5*-1;;;;;;;3*+2/p+2
InChIKeyIOELQSDWCIAMHM-UHFFFAOYSA-P
MW3584.03 g/mol
LogP37.50
Rot. Bonds18

About 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 160836735) has the molecular formula C162H147F3Ir3N13O2OsP2Pt2- and a molecular weight of 3584.03 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID160836735
Molecular FormulaC162H147F3Ir3N13O2OsP2Pt2-
Molecular Weight3584.03 g/mol
Exact Mass3585.90
IUPAC Name2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Os+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(C2(c3cccc(-c4[c-]cccc4)n3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C43H38N2.C35H22N2.C21H22N.2C12H10N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.3Ir.Os.2Pt/c1-41(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;1-3-13-25(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;1-14(2)9-17-13-21(18-11-15(3)10-16(4)12-18)22-20-8-6-5-7-19(17)20;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;/h7-15,17,19-28H,1-6H3;1-13,15,17-24H;5-8,10-11,13-14H,9H2,1-4H3;2-7,9H,1H3;2-5,7-9H,1H3;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;/q2*-2;5*-1;;;;;;;3*+2/p+2
InChIKeyIOELQSDWCIAMHM-UHFFFAOYSA-P
XLogP37.50
TPSA207.29 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms188
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003584.03
LogP ≤ 537.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'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': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine 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-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 160836735) is 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CC(=O)C=C(C)O.CC(C)(C)c1ccc2c(c1)C(c1cccc(-c3[c-]cccc3)n1)(c1cccc(-c3[c-]cccc3)n1)c1cc(C(C)(C)C)ccc1-2.C[PH+](C)c1ccccc1.C[PH+](C)c1ccccc1.Cc1[c-]c(-c2cc(CC(C)C)c3ccccc3n2)cc(C)c1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cccnc1-c1[c-]cccc1.Cc1ccnc(-c2[c-]cccc2)c1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Ir].[Ir].[Ir].[Os+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-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is IOELQSDWCIAMHM-UHFFFAOYSA-P. The full InChI is InChI=1S/C43H38N2.C35H22N2.C21H22N.2C12H10N.C9H5F3N3.C9H8N3.2C8H11P.C5H8O2.3Ir.Os.2Pt/c1-41(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;1-3-13-25(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;1-14(2)9-17-13-21(18-11-15(3)10-16(4)12-18)22-20-8-6-5-7-19(17)20;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-9(2)8-6-4-3-5-7-8;1-4(6)3-5(2)7;;;;;;/h7-15,17,19-28H,1-6H3;1-13,15,17-24H;5-8,10-11,13-14H,9H2,1-4H3;2-7,9H,1H3;2-5,7-9H,1H3;1-5H;2-6H,1H3;2*3-7H,1-2H3;3,6H,1-2H3;;;;;;/q2*-2;5*-1;;;;;;;3*+2/p+2.
What are the key properties of 2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
2-[2,7-ditert-butyl-9-(6-phenyl-2-pyridinyl)fluoren-9-yl]-6-phenylpyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 3584.03 g/mol, XLogP of 37.50, 18 rotatable bonds, 1 hydrogen bond donors, and 13 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-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;bis(dimethyl(phenyl)phosphanium);4-hydroxypent-3-en-2-one;tris(iridium);3-methyl-2-phenylpyridine;4-methyl-2-phenylpyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium(2+);2-phenyl-6-[9-(6-phenyl-2-pyridinyl)fluoren-9-yl]pyridine;bis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 160836735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).