bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline

C410H366Ir8N22O10-4 — CID 157310806

IUPACbis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)CCC(c2cc(-c3[c-]cccc3)nc3ccccc23)CC1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4cc(C)ccc4c23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4ccccc4c23)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1cc(C2CCC3(CCCCC3)CC2)c2ccccc2n1.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C26H28N.C23H24N.2C21H20N.6C20H18N.3C19H14NO.3C18H12NO.6C13H12N.2C5H8O2.8Ir/c1-3-9-21(10-4-1)25-19-23(22-11-5-6-12-24(22)27-25)20-13-17-26(18-14-20)15-7-2-8-16-26;1-23(2)14-12-17(13-15-23)20-16-22(18-8-4-3-5-9-18)24-21-11-7-6-10-19(20)21;2*1-3-7-16(8-4-1)19-12-11-17-13-14-22-21(20(17)15-19)18-9-5-2-6-10-18;6*1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;1-12-3-6-15-16-7-5-14(10-19(16)21-18(15)9-12)17-8-4-13(2)11-20-17;1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-12-6-8-15-18(10-12)21-17-5-3-4-14(19(15)17)16-9-7-13(2)11-20-16;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-9-10-15(19-11-12)13-6-4-8-17-18(13)14-5-2-3-7-16(14)20-17;1-12-6-9-16(19-11-12)13-7-8-15-14-4-2-3-5-17(14)20-18(15)10-13;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-4(6)3-5(2)7;;;;;;;;/h1,3-6,9,11-12,19-20H,2,7-8,13-18H2;3-8,10-11,16-17H,12-15H2,1-2H3;2*2,5-6,9,11-16H,1,3-4,7-8H2;6*4-7,9-13H,1-3H3;2*3-4,6-11H,1-2H3;3,5-11H,1-2H3;2-6,8-11H,1H3;2-5,7-11H,1H3;2-6,8-11H,1H3;6*3-6,8-9H,1-2H3;2*3,6H,1-2H3;;;;;;;;/q22*-1;;;;;6*+3/i;;;;6*3D3;3*2D3;9*1D3;;;;;;;;;;
InChIKeyMFZZCFCZUJAQBT-ZUFWGLEKSA-N
MW7353.65 g/mol
LogP106.55
Rot. Bonds52

About bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline

bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline (PubChem CID 157310806) has the molecular formula C410H366Ir8N22O10-4 and a molecular weight of 7353.65 g/mol. Its IUPAC name is bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline.

Molecular Properties

Compound Namebis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline
PubChem CID157310806
Molecular FormulaC410H366Ir8N22O10-4
Molecular Weight7353.65 g/mol
Exact Mass7354.93
IUPAC Namebis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)CCC(c2cc(-c3[c-]cccc3)nc3ccccc23)CC1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4cc(C)ccc4c23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4ccccc4c23)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1cc(C2CCC3(CCCCC3)CC2)c2ccccc2n1.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12
InChIInChI=1S/C26H28N.C23H24N.2C21H20N.6C20H18N.3C19H14NO.3C18H12NO.6C13H12N.2C5H8O2.8Ir/c1-3-9-21(10-4-1)25-19-23(22-11-5-6-12-24(22)27-25)20-13-17-26(18-14-20)15-7-2-8-16-26;1-23(2)14-12-17(13-15-23)20-16-22(18-8-4-3-5-9-18)24-21-11-7-6-10-19(20)21;2*1-3-7-16(8-4-1)19-12-11-17-13-14-22-21(20(17)15-19)18-9-5-2-6-10-18;6*1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;1-12-3-6-15-16-7-5-14(10-19(16)21-18(15)9-12)17-8-4-13(2)11-20-17;1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-12-6-8-15-18(10-12)21-17-5-3-4-14(19(15)17)16-9-7-13(2)11-20-16;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-9-10-15(19-11-12)13-6-4-8-17-18(13)14-5-2-3-7-16(14)20-17;1-12-6-9-16(19-11-12)13-7-8-15-14-4-2-3-5-17(14)20-18(15)10-13;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-4(6)3-5(2)7;;;;;;;;/h1,3-6,9,11-12,19-20H,2,7-8,13-18H2;3-8,10-11,16-17H,12-15H2,1-2H3;2*2,5-6,9,11-16H,1,3-4,7-8H2;6*4-7,9-13H,1-3H3;2*3-4,6-11H,1-2H3;3,5-11H,1-2H3;2-6,8-11H,1H3;2-5,7-11H,1H3;2-6,8-11H,1H3;6*3-6,8-9H,1-2H3;2*3,6H,1-2H3;;;;;;;;/q22*-1;;;;;6*+3/i;;;;6*3D3;3*2D3;9*1D3;;;;;;;;;;
InChIKeyMFZZCFCZUJAQBT-ZUFWGLEKSA-N
XLogP106.55
TPSA437.02 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms450
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007353.65
LogP ≤ 5106.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

22'-Methyl-12-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]methyl]spiro[24-oxa-11-azoniahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene-13,14'-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene]
CID 123794045
14-[[4-[1-[2-[2-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-1-ium-1-yl]ethyl]quinolin-1-ium-2-yl]dibenzofuran-3-yl]methyl]-3-oxa-15-azoniahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 123796450
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-[3-Dibenzofuran-1-yl-4-[2-[3-[2-[2-dibenzofuran-1-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153320037
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
8-[4-(1,1,2,2,3,3,4,4,5,5-Decafluorospiro[5.5]undecan-9-yl)-1-methylpyridin-1-ium-2-yl]-2,7-dimethyl-[1]benzofuro[2,3-b]pyridine;4-(4,4-dimethylcyclohexyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;2,7-dimethyl-8-(1-methyl-4-spiro[5.5]undecan-3-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;1-methyl-2-(2-methylphenyl)-4-spiro[5.5]undecan-3-ylpyridin-1-ium
CID 157280365
8-(1-cyclopentylethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(2H-dibenzofuran-2-id-3-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;4-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-7-fluorobenzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
CID 157731989
6-Cyclopentyl-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
CID 157966331
CID 158186016
CID 158186016
bis(iridium);methanol;bis(2-phenyl-5-(trideuteriomethyl)pyridine);8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine;8-[4-(1,1,1,2-tetradeuteriopropan-2-yl)-2-pyridinyl]-2,5-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trifluoromethanesulfonic acid
CID 158294525
CID 158406538
CID 158406538
8-[5-(1,1-Dideuterio-2,2-dimethylpropyl)-1-methylquinolin-1-ium-2-yl]-2,6,7-trimethyl-[1]benzofuro[2,3-b]pyridine;4-[4-(4,4-dimethylcyclohexyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-(4-spiro[5.5]undecan-3-ylphenyl)pyridin-1-ium;2,6,7-trimethyl-8-[1-methyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]quinolin-1-ium-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 158637912

Frequently Asked Questions

What is the IUPAC name of bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline?
The IUPAC name of bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline (CID 157310806) is bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline.
What is the SMILES notation for bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline?
The canonical SMILES for bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)CCC(c2cc(-c3[c-]cccc3)nc3ccccc23)CC1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C)cn2)cc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]cc3c(c2)oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2cc(C)ccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3c2oc2ccccc23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4cc(C)ccc4c23)nc1.[2H]C([2H])([2H])c1ccc(-c2[c-]ccc3oc4ccccc4c23)nc1.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[2H]C([2H])([2H])c1cnc(-c2[c-]cccc2)cc1-c1ccc(C)cc1C.[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[Ir].[Ir].[c-]1ccccc1-c1cc(C2CCC3(CCCCC3)CC2)c2ccccc2n1.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12.[c-]1ccccc1-c1nccc2ccc(C3CCCCC3)cc12.
What is the InChIKey of bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline?
The InChIKey is MFZZCFCZUJAQBT-ZUFWGLEKSA-N. The full InChI is InChI=1S/C26H28N.C23H24N.2C21H20N.6C20H18N.3C19H14NO.3C18H12NO.6C13H12N.2C5H8O2.8Ir/c1-3-9-21(10-4-1)25-19-23(22-11-5-6-12-24(22)27-25)20-13-17-26(18-14-20)15-7-2-8-16-26;1-23(2)14-12-17(13-15-23)20-16-22(18-8-4-3-5-9-18)24-21-11-7-6-10-19(20)21;2*1-3-7-16(8-4-1)19-12-11-17-13-14-22-21(20(17)15-19)18-9-5-2-6-10-18;6*1-14-9-10-18(15(2)11-14)19-12-20(21-13-16(19)3)17-7-5-4-6-8-17;1-12-3-6-15-16-7-5-14(10-19(16)21-18(15)9-12)17-8-4-13(2)11-20-17;1-12-6-8-14-15-4-3-5-16(19(15)21-18(14)10-12)17-9-7-13(2)11-20-17;1-12-6-8-15-18(10-12)21-17-5-3-4-14(19(15)17)16-9-7-13(2)11-20-16;1-12-9-10-16(19-11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;1-12-9-10-15(19-11-12)13-6-4-8-17-18(13)14-5-2-3-7-16(14)20-17;1-12-6-9-16(19-11-12)13-7-8-15-14-4-2-3-5-17(14)20-18(15)10-13;6*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;2*1-4(6)3-5(2)7;;;;;;;;/h1,3-6,9,11-12,19-20H,2,7-8,13-18H2;3-8,10-11,16-17H,12-15H2,1-2H3;2*2,5-6,9,11-16H,1,3-4,7-8H2;6*4-7,9-13H,1-3H3;2*3-4,6-11H,1-2H3;3,5-11H,1-2H3;2-6,8-11H,1H3;2-5,7-11H,1H3;2-6,8-11H,1H3;6*3-6,8-9H,1-2H3;2*3,6H,1-2H3;;;;;;;;/q22*-1;;;;;6*+3/i;;;;6*3D3;3*2D3;9*1D3;;;;;;;;;;.
What are the key properties of bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline?
bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline has a molecular weight of 7353.65 g/mol, XLogP of 106.55, 52 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-cyclohexyl-1-phenylisoquinoline);2-(2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;4-(4,4-dimethylcyclohexyl)-2-phenylquinoline;hexakis(4-(2,4-dimethylphenyl)-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-hydroxypent-3-en-2-one);bis(iridium);hexakis(iridium(3+));2-(7-methyl-2H-dibenzofuran-2-id-1-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-2H-dibenzofuran-2-id-3-yl)-5-(trideuteriomethyl)pyridine;2-(7-methyl-3H-dibenzofuran-3-id-4-yl)-5-(trideuteriomethyl)pyridine;hexakis(5-methyl-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);2-phenyl-4-spiro[5.5]undecan-3-ylquinoline is sourced from PubChem (CID 157310806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).