10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol

C178H221Ir5N10O12S2Si-5 — CID 162280766

IUPAC10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
SMILESCC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccc4c(n3)CCC4)c21.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3cc4c(cn3)CCCC4)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccc4ccccc4n3)c21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H19N2S2.C24H23N2.C23H22N3.C23H18NOSi.C21H19N2O.C17H34O2.C16H32O2.C13H26O2.C9H18O2.C5H10O2.5Ir/c1-29-23-13-3-2-10-20(23)27(24-14-7-17-30-24,25-15-8-18-31-25)21-11-6-9-19(26(21)29)22-12-4-5-16-28-22;1-24(2)18-10-4-5-13-22(18)26(3)23-17(9-7-11-19(23)24)21-15-14-16-8-6-12-20(16)25-21;1-25-20-11-5-6-12-21(20)26(2)23-18(10-7-13-22(23)25)19-14-16-8-3-4-9-17(16)15-24-19;1-26(2)22-13-6-5-11-20(22)25-21-12-7-9-17(23(21)26)19-15-14-16-8-3-4-10-18(16)24-19;1-21(2,3)23-17-9-4-5-10-19(17)24-20-12-11-15(14-18(20)23)16-8-6-7-13-22-16;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;;/h2-8,10-18H,1H3;4-5,7,10-11,13-15H,6,8,12H2,1-3H3;5-7,11-15H,3-4,8-9H2,1-2H3;3-8,10-15H,1-2H3;4-10,12-14H,1-3H3;9-14,16-19H,1-8H3;9-13,15-18H,8H2,1-7H3;9-12,14-15H,5-8H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyFZFDUBAQONUTRP-UHFFFAOYSA-N
MW3746.09 g/mol
LogP43.70
Rot. Bonds32

About 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol

10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol (PubChem CID 162280766) has the molecular formula C178H221Ir5N10O12S2Si-5 and a molecular weight of 3746.09 g/mol. Its IUPAC name is 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol.

Molecular Properties

Compound Name10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
PubChem CID162280766
Molecular FormulaC178H221Ir5N10O12S2Si-5
Molecular Weight3746.09 g/mol
Exact Mass3747.44
IUPAC Name10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
SMILESCC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccc4c(n3)CCC4)c21.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3cc4c(cn3)CCCC4)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccc4ccccc4n3)c21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C27H19N2S2.C24H23N2.C23H22N3.C23H18NOSi.C21H19N2O.C17H34O2.C16H32O2.C13H26O2.C9H18O2.C5H10O2.5Ir/c1-29-23-13-3-2-10-20(23)27(24-14-7-17-30-24,25-15-8-18-31-25)21-11-6-9-19(26(21)29)22-12-4-5-16-28-22;1-24(2)18-10-4-5-13-22(18)26(3)23-17(9-7-11-19(23)24)21-15-14-16-8-6-12-20(16)25-21;1-25-20-11-5-6-12-21(20)26(2)23-18(10-7-13-22(23)25)19-14-16-8-3-4-9-17(16)15-24-19;1-26(2)22-13-6-5-11-20(22)25-21-12-7-9-17(23(21)26)19-15-14-16-8-3-4-10-18(16)24-19;1-21(2,3)23-17-9-4-5-10-19(17)24-20-12-11-15(14-18(20)23)16-8-6-7-13-22-16;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;;/h2-8,10-18H,1H3;4-5,7,10-11,13-15H,6,8,12H2,1-3H3;5-7,11-15H,3-4,8-9H2,1-2H3;3-8,10-15H,1-2H3;4-10,12-14H,1-3H3;9-14,16-19H,1-8H3;9-13,15-18H,8H2,1-7H3;9-12,14-15H,5-8H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyFZFDUBAQONUTRP-UHFFFAOYSA-N
XLogP43.70
TPSA301.41 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003746.09
LogP ≤ 543.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol with MolForge

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Related Compounds

9,9-Dimethyl-10-(4-methylphenyl)acridine;10,10-dimethyl-5-(4-methylphenyl)benzo[b][1,4]benzazasiline;10-(4-methylphenyl)phenothiazine;10-(4-methylphenyl)phenoxazine;5-(4-methylphenyl)-10-phenylphenazine;8-(4-methylphenyl)-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157346470
10-(4-tert-butylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-4H-xanthen-4-id-3-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tris(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162279116
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
CID 162280770
10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;4,5-dimethyl-2-phenylpyridine;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;tris(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol
CID 162285170
10,10-bis(4-methoxyphenyl)-5-methyl-4-pyridin-2-yl-3H-benzo[b][1,4]benzazasilin-3-ide;1,3-dipyridin-4-ylprop-1-ene-1,3-diol;2-[10,10-di(thiophen-3-yl)-3H-benzo[b][1,4]benzoxasilin-3-id-2-yl]pyridine;tetrakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;pent-2-ene-2,4-diol;pyridine-2-carboxylic acid;9,9,10-trimethyl-4-[5-(5-methyl-3-pyridinyl)-2-pyridinyl]-3H-acridin-3-ide;9,9,10-trimethyl-4-(5,6,7,8-tetrahydroisoquinolin-3-yl)-3H-acridin-3-ide
CID 162287568
bis(N,N-diphenylaniline);ethane;9-methylcarbazole;10-methyl-9,9-diphenylacridine;5-methyl-10,10-diphenylbenzo[b][1,4]benzazasiline;10-methylphenothiazine;10-methylphenoxazine;bis(N-methyl-N-phenylaniline);5-methyl-10-phenylphenazine;N-methyl-N-phenylpyridin-4-amine;8-methyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;toluene;9,9,10-trimethylacridine;5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 164964284

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol?
The IUPAC name of 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol (CID 162280766) is 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol.
What is the SMILES notation for 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol?
The canonical SMILES for 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol is CC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccc4c(n3)CCC4)c21.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3cc4c(cn3)CCCC4)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccc4ccccc4n3)c21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol?
The InChIKey is FZFDUBAQONUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N2S2.C24H23N2.C23H22N3.C23H18NOSi.C21H19N2O.C17H34O2.C16H32O2.C13H26O2.C9H18O2.C5H10O2.5Ir/c1-29-23-13-3-2-10-20(23)27(24-14-7-17-30-24,25-15-8-18-31-25)21-11-6-9-19(26(21)29)22-12-4-5-16-28-22;1-24(2)18-10-4-5-13-22(18)26(3)23-17(9-7-11-19(23)24)21-15-14-16-8-6-12-20(16)25-21;1-25-20-11-5-6-12-21(20)26(2)23-18(10-7-13-22(23)25)19-14-16-8-3-4-9-17(16)15-24-19;1-26(2)22-13-6-5-11-20(22)25-21-12-7-9-17(23(21)26)19-15-14-16-8-3-4-10-18(16)24-19;1-21(2,3)23-17-9-4-5-10-19(17)24-20-12-11-15(14-18(20)23)16-8-6-7-13-22-16;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;;/h2-8,10-18H,1H3;4-5,7,10-11,13-15H,6,8,12H2,1-3H3;5-7,11-15H,3-4,8-9H2,1-2H3;3-8,10-15H,1-2H3;4-10,12-14H,1-3H3;9-14,16-19H,1-8H3;9-13,15-18H,8H2,1-7H3;9-12,14-15H,5-8H2,1-4H3;5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol?
10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol has a molecular weight of 3746.09 g/mol, XLogP of 43.70, 32 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-2-pyridin-2-yl-3H-phenoxazin-3-ide;3,7-diethylnon-4-ene-4,6-diol;4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-9,9,10-trimethyl-3H-acridin-3-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)quinoline;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;2,6-dimethylhept-3-ene-3,5-diol;5,10-dimethyl-1-(5,6,7,8-tetrahydroisoquinolin-3-yl)-2H-phenazin-2-ide;3-ethyl-2,8-dimethyl-7-propan-2-ylnon-4-ene-4,6-diol;pentakis(iridium);10-methyl-4-pyridin-2-yl-9,9-dithiophen-2-yl-3H-acridin-3-ide;pent-2-ene-2,4-diol is sourced from PubChem (CID 162280766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).