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

C115H114Ir3N6O6S2Si-4 — CID 162285170

IUPAC10-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
SMILESCC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H22NOSi.C27H19N2S2.C21H19N2O.C16H32O2.C13H12N.C5H10O2.3Ir/c1-3-13-25(14-4-1)36(26-15-5-2-6-16-26)30-20-10-9-19-29(30)35-33-28(18-11-21-31(33)36)32-27-17-8-7-12-24(27)22-23-34-32;1-29-23-13-3-2-10-20(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;1-21(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;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-4(6)3-5(2)7;;;/h1-17,19-23H;2-8,10-18H,1H3;4-10,12-14H,1-3H3;9-13,15-18H,8H2,1-7H3;3-6,8-9H,1-2H3;3-4,6-7H,1-2H3;;;/q3*-1;;-1;;;;
InChIKeyXTHISIBZTRWGMK-UHFFFAOYSA-N
MW2345.08 g/mol
LogP26.30
Rot. Bonds16

About 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

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 (PubChem CID 162285170) has the molecular formula C115H114Ir3N6O6S2Si-4 and a molecular weight of 2345.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-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
PubChem CID162285170
Molecular FormulaC115H114Ir3N6O6S2Si-4
Molecular Weight2345.08 g/mol
Exact Mass2345.69
IUPAC Name10-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
SMILESCC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H22NOSi.C27H19N2S2.C21H19N2O.C16H32O2.C13H12N.C5H10O2.3Ir/c1-3-13-25(14-4-1)36(26-15-5-2-6-16-26)30-20-10-9-19-29(30)35-33-28(18-11-21-31(33)36)32-27-17-8-7-12-24(27)22-23-34-32;1-29-23-13-3-2-10-20(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;1-21(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;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-4(6)3-5(2)7;;;/h1-17,19-23H;2-8,10-18H,1H3;4-10,12-14H,1-3H3;9-13,15-18H,8H2,1-7H3;3-6,8-9H,1-2H3;3-4,6-7H,1-2H3;;;/q3*-1;;-1;;;;
InChIKeyXTHISIBZTRWGMK-UHFFFAOYSA-N
XLogP26.30
TPSA157.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.08
LogP ≤ 526.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

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;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 with MolForge

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Related Compounds

7-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-N,N-diphenylphenoxazin-3-amine;3-carbazol-9-yl-10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-7-thiophen-2-ylphenoxazine;tetrakis(iridium);10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-(9-phenylcarbazol-3-yl)-7-thiophen-2-ylphenoxazine;10-(3-isoquinolin-1-ylbenzene-4-id-1-yl)-3-N,3-N,7-N,7-N-tetrakis(4-methylphenyl)phenoxazine-3,7-diamine
CID 160503082
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-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
2-[10,10-bis(4-methoxyphenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;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 162287566
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
(3R)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(3S)-3-propan-2-yl-2,3-dihydrofuro[3,2-b]pyridine;(7R)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(7S)-7-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophene;(4R)-4-propan-2-yl-4,5,6,7-tetrahydro-1H-indene;(4R)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline;(4S)-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 163962126

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)N1c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC(O)=CC(C)O.CCC(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CN1c2ccccc2C(c2cccs2)(c2cccs2)c2cc[c-]c(-c3ccccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1nccc3ccccc13)Oc1ccccc1[Si]2(c1ccccc1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is XTHISIBZTRWGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22NOSi.C27H19N2S2.C21H19N2O.C16H32O2.C13H12N.C5H10O2.3Ir/c1-3-13-25(14-4-1)36(26-15-5-2-6-16-26)30-20-10-9-19-29(30)35-33-28(18-11-21-31(33)36)32-27-17-8-7-12-24(27)22-23-34-32;1-29-23-13-3-2-10-20(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;1-21(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;1-8-13(10(2)3)14(17)9-15(18)16(11(4)5)12(6)7;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-4(6)3-5(2)7;;;/h1-17,19-23H;2-8,10-18H,1H3;4-10,12-14H,1-3H3;9-13,15-18H,8H2,1-7H3;3-6,8-9H,1-2H3;3-4,6-7H,1-2H3;;;/q3*-1;;-1;;;;.
What are the key properties of 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?
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 has a molecular weight of 2345.08 g/mol, XLogP of 26.30, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162285170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).