1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)

C207H160Ir5N9O6S2Se6Si2-9 — CID 162275198

IUPAC1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)
SMILESCCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc3oc4c(-c5ccc(C(C)C)cn5)[c-]ccc4c3c2)cs1.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.Cc1cc(C)cc(-c2ccc3sc4c(-c5ccccn5)[c-]ccc4c3c2)c1.Cc1cc(C)cc(C(O)=CC(O)c2cc(C)cc(C)c2)c1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc[c-]c(-c4ccccn4)c32)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1cc3ccccc3cn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C31H24NSi.C25H20NO2S.C25H18NS.C22H20NSe.C21H12NO2.C19H16NSeSi.C19H22O2.2C17H10NSe2.C11H8N.5Ir/c1-22-13-17-24(18-14-22)33(25-19-15-23(2)16-20-25)30-12-4-3-8-26(30)27-9-7-10-28(31(27)33)29-11-5-6-21-32-29;1-15(2)17-7-9-22(26-13-17)20-6-4-5-19-21-11-16(8-10-23(21)28-25(19)20)18-12-24(27-3)29-14-18;1-16-12-17(2)14-19(13-16)18-9-10-24-22(15-18)20-6-5-7-21(25(20)27-24)23-8-3-4-11-26-23;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-7-15-13-22-17(12-14(15)6-1)16-8-5-11-20-21(16)24-19-10-4-3-9-18(19)23-20;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;1-12-5-13(2)8-16(7-12)18(20)11-19(21)17-9-14(3)6-15(4)10-17;2*1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-9,11-21H,1-2H3;4-5,7-15H,1-3H3;3-6,8-15H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-7,9-13H;3-7,9-13H,1-2H3;5-11,18,20-21H,1-4H3;2*1-5,7-11H;1-6,8-9H;;;;;/q6*-1;;3*-1;;;;;
InChIKeyMRZHHONIDJACMJ-UHFFFAOYSA-N
MW4424.76 g/mol
LogP37.03
Rot. Bonds20

About 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)

1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) (PubChem CID 162275198) has the molecular formula C207H160Ir5N9O6S2Se6Si2-9 and a molecular weight of 4424.76 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine).

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)
PubChem CID162275198
Molecular FormulaC207H160Ir5N9O6S2Se6Si2-9
Molecular Weight4424.76 g/mol
Exact Mass4431.47
IUPAC Name1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)
SMILESCCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc3oc4c(-c5ccc(C(C)C)cn5)[c-]ccc4c3c2)cs1.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.Cc1cc(C)cc(-c2ccc3sc4c(-c5ccccn5)[c-]ccc4c3c2)c1.Cc1cc(C)cc(C(O)=CC(O)c2cc(C)cc(C)c2)c1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc[c-]c(-c4ccccn4)c32)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1cc3ccccc3cn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C31H24NSi.C25H20NO2S.C25H18NS.C22H20NSe.C21H12NO2.C19H16NSeSi.C19H22O2.2C17H10NSe2.C11H8N.5Ir/c1-22-13-17-24(18-14-22)33(25-19-15-23(2)16-20-25)30-12-4-3-8-26(30)27-9-7-10-28(31(27)33)29-11-5-6-21-32-29;1-15(2)17-7-9-22(26-13-17)20-6-4-5-19-21-11-16(8-10-23(21)28-25(19)20)18-12-24(27-3)29-14-18;1-16-12-17(2)14-19(13-16)18-9-10-24-22(15-18)20-6-5-7-21(25(20)27-24)23-8-3-4-11-26-23;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-7-15-13-22-17(12-14(15)6-1)16-8-5-11-20-21(16)24-19-10-4-3-9-18(19)23-20;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;1-12-5-13(2)8-16(7-12)18(20)11-19(21)17-9-14(3)6-15(4)10-17;2*1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-9,11-21H,1-2H3;4-5,7-15H,1-3H3;3-6,8-15H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-7,9-13H;3-7,9-13H,1-2H3;5-11,18,20-21H,1-4H3;2*1-5,7-11H;1-6,8-9H;;;;;/q6*-1;;3*-1;;;;;
InChIKeyMRZHHONIDJACMJ-UHFFFAOYSA-N
XLogP37.03
TPSA197.30 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms237
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004424.76
LogP ≤ 537.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) 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

9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 161209666
1,3-bis(1-adamantyl)-3-hydroxy-2-methylprop-2-en-1-one;[2-(3H-dibenzofuran-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[2-(3H-dibenzothiophen-3-id-4-yl)-4-pyridin-2-ylquinolin-6-yl]-trimethylsilane;[4-(2,6-difluorophenyl)-2-(3,5-dimethylbenzene-6-id-1-yl)quinolin-6-yl]-trimethylsilane;5-hydroxy-2,6-dimethylhept-4-en-3-one;5-hydroxyhept-4-en-3-one;tris(iridium)
CID 157233696
2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzofuran-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-[6-(1-bicyclo[2.2.2]octanyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(3H-dibenzothiophen-3-id-4-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;5-(1-bicyclo[2.2.2]octanyl)-1-(3,5-dimethylbenzene-6-id-1-yl)isoquinoline;2-[8-(1-bicyclo[2.2.2]octanyl)-9,9-dimethyl-2H-fluoren-2-id-1-yl]pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;4-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;5-(1-bicyclo[2.2.2]octanyl)-2-phenylpyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);decakis(iridium);methane;octakis(2-phenylpyridine)
CID 157304191
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;bis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;3-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine
CID 157343732
4-tert-butyl-2-phenylpyridine;bis(5-tert-butyl-2-phenylpyridine);2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzothiophen-3-id-2-yl)pyridine;4-(3,5-dimethylphenyl)-2-phenylpyridine;4-hydroxypent-3-en-2-one;octakis(iridium);tris(5-methyl-2-phenylpyridine);bis(2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine);2-phenylpyridine
CID 157596978
4-tert-butyl-2-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;hexakis(iridium);2-methyl-6-phenylpyridine;5-methyl-2-phenylpyridine;2-[6-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]pyridine;tris(2-phenylpyridine);2-(6-propan-2-yl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 157761122
bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine);bis(2-phenylpyridine)
CID 157790499
CID 157846598
CID 157846598
2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;2-(2H-dibenzothiophen-2-id-1-yl)pyridine;bis(1,1-dimethyl-6-phenyl-3,4-dihydro-2H-silino[2,3-c]pyridine);tris(1,1-dimethyl-5-phenyl-2,3-dihydrosilolo[2,3-c]pyridine);pentakis(iridium);trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 158145157
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylphosphanyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylphosphanyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylphosphanyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylphosphanyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 158396473
2-(3H-dibenzofuran-3-id-4-yl)-4-(4-methylphenyl)pyridine;bis(2-(3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methyl-3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;2-(6-methyl-3H-dibenzothiophen-3-id-4-yl)-4-phenylpyridine;bis(2-phenylpyridine)
CID 158523638
2-[4-(3,5-Ditert-butylphenyl)-6-[3-[(4,6-diphenyl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(5-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(6-phenyl-1-benzofuran-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-(3,5-ditert-butylphenyl)-6-[3-[(4-phenyl-6-propan-2-yl-1-benzothiophen-7-yl)-pyridin-2-ylboranyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 158525826

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) (CID 162275198) is 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine).
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) is CCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc3oc4c(-c5ccc(C(C)C)cn5)[c-]ccc4c3c2)cs1.C[Si]1(C)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.Cc1cc(C)cc(-c2ccc3sc4c(-c5ccccn5)[c-]ccc4c3c2)c1.Cc1cc(C)cc(C(O)=CC(O)c2cc(C)cc(C)c2)c1.Cc1ccc([Si]2(c3ccc(C)cc3)c3ccccc3-c3cc[c-]c(-c4ccccn4)c32)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1cc3ccccc3cn1)Oc1ccccc1O2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)?
The InChIKey is MRZHHONIDJACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24NSi.C25H20NO2S.C25H18NS.C22H20NSe.C21H12NO2.C19H16NSeSi.C19H22O2.2C17H10NSe2.C11H8N.5Ir/c1-22-13-17-24(18-14-22)33(25-19-15-23(2)16-20-25)30-12-4-3-8-26(30)27-9-7-10-28(31(27)33)29-11-5-6-21-32-29;1-15(2)17-7-9-22(26-13-17)20-6-4-5-19-21-11-16(8-10-23(21)28-25(19)20)18-12-24(27-3)29-14-18;1-16-12-17(2)14-19(13-16)18-9-10-24-22(15-18)20-6-5-7-21(25(20)27-24)23-8-3-4-11-26-23;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-7-15-13-22-17(12-14(15)6-1)16-8-5-11-20-21(16)24-19-10-4-3-9-18(19)23-20;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;1-12-5-13(2)8-16(7-12)18(20)11-19(21)17-9-14(3)6-15(4)10-17;2*1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3-9,11-21H,1-2H3;4-5,7-15H,1-3H3;3-6,8-15H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-7,9-13H;3-7,9-13H,1-2H3;5-11,18,20-21H,1-4H3;2*1-5,7-11H;1-6,8-9H;;;;;/q6*-1;;3*-1;;;;;.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine)?
1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) has a molecular weight of 4424.76 g/mol, XLogP of 37.03, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylphenyl)prop-1-ene-1,3-diol;2-[5,5-bis(4-methylphenyl)-3H-benzo[b][1]benzosilol-3-id-4-yl]pyridine;3-(2H-dibenzo-p-dioxin-2-id-1-yl)isoquinoline;2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoselenasilin-2-id-1-yl)pyridine;2-[8-(3,5-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;pentakis(iridium);2-[8-(5-methoxythiophen-3-yl)-3H-dibenzofuran-3-id-4-yl]-5-propan-2-ylpyridine;2-phenylpyridine;bis(2-(2H-selenanthren-2-id-1-yl)pyridine) is sourced from PubChem (CID 162275198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).