10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol

C117H124F3Ir4N7O8Se3Si-4 — CID 162282055

IUPAC10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol
SMILESCC(C)(C)N1c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C(F)(F)F)c2cc[c-]c(-c3ccccn3)c21.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H19N2Se.C20H16NSe.C19H13F3N3.C19H16NSeSi.C15H14O2.2C9H18O2.C5H10O2.4Ir/c1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-24-15-9-2-3-10-16(15)25(19(20,21)22)17-11-6-7-13(18(17)24)14-8-4-5-12-23-14;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h4-8,10-14H,1-3H3;3-7,9-13H,1-2H3;2-6,8-12H,1H3;3-7,9-13H,1-2H3;1-11,14,16-17H;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyYBVDFUBWQBCZGT-UHFFFAOYSA-N
MW2847.15 g/mol
LogP21.27
Rot. Bonds14

About 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol

10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol (PubChem CID 162282055) has the molecular formula C117H124F3Ir4N7O8Se3Si-4 and a molecular weight of 2847.15 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol.

Molecular Properties

Compound Name10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol
PubChem CID162282055
Molecular FormulaC117H124F3Ir4N7O8Se3Si-4
Molecular Weight2847.15 g/mol
Exact Mass2851.53
IUPAC Name10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol
SMILESCC(C)(C)N1c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C(F)(F)F)c2cc[c-]c(-c3ccccn3)c21.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C21H19N2Se.C20H16NSe.C19H13F3N3.C19H16NSeSi.C15H14O2.2C9H18O2.C5H10O2.4Ir/c1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-24-15-9-2-3-10-16(15)25(19(20,21)22)17-11-6-7-13(18(17)24)14-8-4-5-12-23-14;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h4-8,10-14H,1-3H3;3-7,9-13H,1-2H3;2-6,8-12H,1H3;3-7,9-13H,1-2H3;1-11,14,16-17H;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyYBVDFUBWQBCZGT-UHFFFAOYSA-N
XLogP21.27
TPSA223.12 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.15
LogP ≤ 521.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol with MolForge

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Related Compounds

10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;iridium;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 153432920
5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;5-fluoropyridine-2-carboxylic acid;iridium
CID 153433087
iridium;2-phenylpyridine;2-(9,9,10,10-tetramethyl-6-propan-2-yl-2H-anthracen-2-id-1-yl)pyridine
CID 171590611
9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylpropane-1,3-diol;iridium
CID 153433057
5-cyclopentylpyridine-2-carboxylic acid;4-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)thieno[3,2-c]pyridine;5-(5,10-dimethyl-2H-phenazin-2-id-1-yl)furo[2,3-c]pyridine;1-(9,9-dimethyl-2H-xanthen-2-id-1-yl)isoquinoline;2-(9,9-dipyridin-4-yl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-(3H-selenanthren-3-id-2-yl)pyridine
CID 162076209
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclohexyl-2-(8-cyclopentyl-3H-dibenzofuran-3-id-4-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;9-methyl-6-phenyl-1-pyridin-2-yl-2H-carbazol-2-ide;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
CID 159156578
1,3-bis(3,5-dimethylphenyl)propane-1,3-diol;iridium;2-(2H-selenanthren-2-id-1-yl)pyridine
CID 153432949
CID 159328419
CID 159328419
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-methyl-1-pyridin-2-ylphenazine
CID 153432968
(Z)-1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;5,5,10,10-tetramethyl-9-pyridin-2-yl-8H-benzo[g]quinolin-8-ide
CID 171590683
iridium;pent-2-ene-2,4-diol;2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]oxypyridine
CID 146899920
5-[3-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]-12,12-dimethylbenzo[b]acridine
CID 163883087

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol?
The IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol (CID 162282055) is 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol.
What is the SMILES notation for 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol?
The canonical SMILES for 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol is CC(C)(C)N1c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CC(C)C(O)=CC(O)C(C)C.CC(C)C(O)=CC(O)C(C)C.CC(O)=CC(C)O.CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C(F)(F)F)c2cc[c-]c(-c3ccccn3)c21.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol?
The InChIKey is YBVDFUBWQBCZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2Se.C20H16NSe.C19H13F3N3.C19H16NSeSi.C15H14O2.2C9H18O2.C5H10O2.4Ir/c1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-24-15-9-2-3-10-16(15)25(19(20,21)22)17-11-6-7-13(18(17)24)14-8-4-5-12-23-14;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;;;;/h4-8,10-14H,1-3H3;3-7,9-13H,1-2H3;2-6,8-12H,1H3;3-7,9-13H,1-2H3;1-11,14,16-17H;2*5-8,10-11H,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol?
10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol has a molecular weight of 2847.15 g/mol, XLogP of 21.27, 14 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-1-pyridin-2-yl-2H-phenoselenazin-2-ide;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;bis(2,6-dimethylhept-3-ene-3,5-diol);2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;1,3-diphenylprop-1-ene-1,3-diol;tetrakis(iridium);10-methyl-1-pyridin-2-yl-5-(trifluoromethyl)-2H-phenazin-2-ide;pent-2-ene-2,4-diol is sourced from PubChem (CID 162282055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).