6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol

C191H153F3Ir5N11O12SSe-7 — CID 162284648

IUPAC6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2cc[c-]c(-c3nccc4occc34)c21.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.OC(=CC(O)c1ccccc1)c1ccccc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3nccc4sccc34)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])N1c2ccccc2Oc2c(-c3ccccn3)[c-]ccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(c1-c1ccccn1)Cc1ccc(-c3ccncc3)cc1-2.[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Se]2
InChIInChI=1S/C30H20N.C24H14F3N2O.C23H15N2.C22H17N2OS.C22H16NO2.C21H12NOSe.C18H13N2O.C15H14O2.C11H22O2.C5H10O2.5Ir/c1-3-12-22(13-4-1)30(23-14-5-2-6-15-23)27-19-8-7-16-24(27)25-17-11-18-26(29(25)30)28-20-9-10-21-31-28;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-2-11-25-23(6-1)20-5-3-4-19-21-14-17(16-9-12-24-13-10-16)7-8-18(21)15-22(19)20;1-13-7-8-18-21(14(13)2)25-22-16(5-4-6-17(22)24(18)3)20-15-10-12-26-19(15)9-11-23-20;1-22(2)16-7-3-4-8-18(16)25-19-9-5-6-15(20(19)22)21-14-11-13-24-17(14)10-12-23-21;1-2-7-15-14(6-1)12-13-22-20(15)16-8-5-11-19-21(16)23-17-9-3-4-10-18(17)24-19;1-20-15-9-2-3-11-17(15)21-18-13(7-6-10-16(18)20)14-8-4-5-12-19-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h1-17,19-21H;1-5,7-15H;1-4,6-14H,15H2;4,6-12H,1-3H3;3-5,7-13H,1-2H3;1-7,9-13H;2-6,8-12H,1H3;1-11,14,16-17H;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;;/q7*-1;;;;;;;;/i;;;3D3;;;1D3;;;;;;;;
InChIKeyZJVMZONEZBKWNS-UHXOOMNWSA-N
MW3929.53 g/mol
LogP46.12
Rot. Bonds18

About 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol

6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol (PubChem CID 162284648) has the molecular formula C191H153F3Ir5N11O12SSe-7 and a molecular weight of 3929.53 g/mol. Its IUPAC name is 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol.

Molecular Properties

Compound Name6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
PubChem CID162284648
Molecular FormulaC191H153F3Ir5N11O12SSe-7
Molecular Weight3929.53 g/mol
Exact Mass3931.91
IUPAC Name6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
SMILESCC(C)(C)C(O)=CC(O)C(C)(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2cc[c-]c(-c3nccc4occc34)c21.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.OC(=CC(O)c1ccccc1)c1ccccc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3nccc4sccc34)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])N1c2ccccc2Oc2c(-c3ccccn3)[c-]ccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(c1-c1ccccn1)Cc1ccc(-c3ccncc3)cc1-2.[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Se]2
InChIInChI=1S/C30H20N.C24H14F3N2O.C23H15N2.C22H17N2OS.C22H16NO2.C21H12NOSe.C18H13N2O.C15H14O2.C11H22O2.C5H10O2.5Ir/c1-3-12-22(13-4-1)30(23-14-5-2-6-15-23)27-19-8-7-16-24(27)25-17-11-18-26(29(25)30)28-20-9-10-21-31-28;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-2-11-25-23(6-1)20-5-3-4-19-21-14-17(16-9-12-24-13-10-16)7-8-18(21)15-22(19)20;1-13-7-8-18-21(14(13)2)25-22-16(5-4-6-17(22)24(18)3)20-15-10-12-26-19(15)9-11-23-20;1-22(2)16-7-3-4-8-18(16)25-19-9-5-6-15(20(19)22)21-14-11-13-24-17(14)10-12-23-21;1-2-7-15-14(6-1)12-13-22-20(15)16-8-5-11-19-21(16)23-17-9-3-4-10-18(17)24-19;1-20-15-9-2-3-11-17(15)21-18-13(7-6-10-16(18)20)14-8-4-5-12-19-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h1-17,19-21H;1-5,7-15H;1-4,6-14H,15H2;4,6-12H,1-3H3;3-5,7-13H,1-2H3;1-7,9-13H;2-6,8-12H,1H3;1-11,14,16-17H;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;;/q7*-1;;;;;;;;/i;;;3D3;;;1D3;;;;;;;;
InChIKeyZJVMZONEZBKWNS-UHXOOMNWSA-N
XLogP46.12
TPSA293.51 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003929.53
LogP ≤ 546.12
H-Bond Donors ≤ 56
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 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);bis(6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline);tetrakis(iridium);1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one
CID 161020065
1-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);pent-2-ene-2,4-diol;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol
CID 162299135
10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 157371705
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)furo[3,2-c]pyridine;4-[6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoselenazin-3-id-4-yl]thieno[3,2-c]pyridine;2-(10,10-dithiophen-2-yl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);pyridine-2-carboxylic acid;1-(2H-selenanthren-2-id-1-yl)isoquinoline;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 157660143
10-(4-tert-butylphenyl)-4-thieno[3,2-c]pyridin-4-yl-3H-phenoxazin-3-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;4-(2H-dibenzo-p-dioxin-2-id-1-yl)furo[3,2-c]pyridine;4,5-dimethyl-2-phenylpyridine;6,7-dimethyl-4-quinolin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;1-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)isoquinoline;tetrakis(iridium);2-phenylpyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 159374135
1-[3-(1-benzofuran-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;1-[3-(1-benzothiophen-5-yl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]ethanone;N-[2-hydroxy-5-[6-[2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]acetyl]-3H-isoindol-1-yl]phenyl]acetamide;1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]-2-[(3S)-1-[(2-propoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 159433989
CID 164972899
CID 164972899

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The IUPAC name of 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol (CID 162284648) is 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol.
What is the SMILES notation for 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The canonical SMILES for 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol is CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2Oc2cc[c-]c(-c3nccc4occc34)c21.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.OC(=CC(O)c1ccccc1)c1ccccc1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3nccc4sccc34)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])N1c2ccccc2Oc2c(-c3ccccn3)[c-]ccc21.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccc2c(c1-c1ccccn1)Cc1ccc(-c3ccncc3)cc1-2.[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Se]2.
What is the InChIKey of 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
The InChIKey is ZJVMZONEZBKWNS-UHXOOMNWSA-N. The full InChI is InChI=1S/C30H20N.C24H14F3N2O.C23H15N2.C22H17N2OS.C22H16NO2.C21H12NOSe.C18H13N2O.C15H14O2.C11H22O2.C5H10O2.5Ir/c1-3-12-22(13-4-1)30(23-14-5-2-6-15-23)27-19-8-7-16-24(27)25-17-11-18-26(29(25)30)28-20-9-10-21-31-28;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-2-11-25-23(6-1)20-5-3-4-19-21-14-17(16-9-12-24-13-10-16)7-8-18(21)15-22(19)20;1-13-7-8-18-21(14(13)2)25-22-16(5-4-6-17(22)24(18)3)20-15-10-12-26-19(15)9-11-23-20;1-22(2)16-7-3-4-8-18(16)25-19-9-5-6-15(20(19)22)21-14-11-13-24-17(14)10-12-23-21;1-2-7-15-14(6-1)12-13-22-20(15)16-8-5-11-19-21(16)23-17-9-3-4-10-18(17)24-19;1-20-15-9-2-3-11-17(15)21-18-13(7-6-10-16(18)20)14-8-4-5-12-19-14;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;1-4(6)3-5(2)7;;;;;/h1-17,19-21H;1-5,7-15H;1-4,6-14H,15H2;4,6-12H,1-3H3;3-5,7-13H,1-2H3;1-7,9-13H;2-6,8-12H,1H3;1-11,14,16-17H;7-8,12-13H,1-6H3;3-4,6-7H,1-2H3;;;;;/q7*-1;;;;;;;;/i;;;3D3;;;1D3;;;;;;;;.
What are the key properties of 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol?
6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol has a molecular weight of 3929.53 g/mol, XLogP of 46.12, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-thieno[3,2-c]pyridin-4-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-(9,9-dimethyl-2H-xanthen-2-id-1-yl)furo[3,2-c]pyridine;2-(9,9-diphenyl-2H-fluoren-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;pentakis(iridium);pent-2-ene-2,4-diol;1-(3H-phenoxaselenin-3-id-4-yl)isoquinoline;2-(6-pyridin-4-yl-2,9-dihydrofluoren-2-id-1-yl)pyridine;4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2,2,6,6-tetramethylhept-3-ene-3,5-diol is sourced from PubChem (CID 162284648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).