2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine

C147H101F3Ir4N20OS3SeSi-8 — CID 159024598

IUPAC2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.Cc1ccc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)nc1.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1
InChIInChI=1S/C29H20NSi.C24H16NOSe.C21H18N.C20H16NS.C15H8F3N4.2C14H9N4.C10H5N4S2.4Ir/c1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;1-14-11-12-19(22-13-14)17-9-6-8-16-15-7-4-5-10-18(15)21(2,3)20(16)17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;16-15(17,18)12-8-6-11(7-9-12)14-21-19-13(20-22-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;;;;/h1-17,19-21H;2-8,10-15H,1H3;4-8,10-13H,1-3H3;3-7,9-13H,1-2H3;1-6,8-9H;2*1-9H;1-3,5-6H;;;;/q8*-1;;;;
InChIKeyORWXVZZFUZOTHY-UHFFFAOYSA-N
MW3192.67 g/mol
LogP31.43
Rot. Bonds17

About 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine

2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine (PubChem CID 159024598) has the molecular formula C147H101F3Ir4N20OS3SeSi-8 and a molecular weight of 3192.67 g/mol. Its IUPAC name is 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
PubChem CID159024598
Molecular FormulaC147H101F3Ir4N20OS3SeSi-8
Molecular Weight3192.67 g/mol
Exact Mass3194.51
IUPAC Name2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine
SMILESCC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.Cc1ccc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)nc1.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1
InChIInChI=1S/C29H20NSi.C24H16NOSe.C21H18N.C20H16NS.C15H8F3N4.2C14H9N4.C10H5N4S2.4Ir/c1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;1-14-11-12-19(22-13-14)17-9-6-8-16-15-7-4-5-10-18(15)21(2,3)20(16)17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;16-15(17,18)12-8-6-11(7-9-12)14-21-19-13(20-22-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;;;;/h1-17,19-21H;2-8,10-15H,1H3;4-8,10-13H,1-3H3;3-7,9-13H,1-2H3;1-6,8-9H;2*1-9H;1-3,5-6H;;;;/q8*-1;;;;
InChIKeyORWXVZZFUZOTHY-UHFFFAOYSA-N
XLogP31.43
TPSA267.03 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003192.67
LogP ≤ 531.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine with MolForge

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Related Compounds

2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;tris(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-phenyl-6-pyridin-2-yl-1,2,4,5-tetrazine;3-pyridin-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine
CID 157707456
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;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-(3,5-dimethylphenyl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-[8-(trifluoromethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine
CID 161026889
2-[9,9-dimethyl-8-(4-propoxyphenyl)-2H-fluoren-2-id-1-yl]pyridine;5-hydroxy-2,4,6-trimethylhept-4-en-3-one;tris(iridium);6-phenyl-3-phenyl-1,2,4,5-tetrazine;3-(2-propan-2-yl-6H-1-benzothiophen-6-id-7-yl)-6-(2-propan-2-yl-1-benzothiophen-7-yl)-1,2,4,5-tetrazine;3-(3H-triphenylen-3-id-2-yl)-6-triphenylen-2-yl-1,2,4,5-tetrazine
CID 159107327

Frequently Asked Questions

What is the IUPAC name of 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The IUPAC name of 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine (CID 159024598) is 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The canonical SMILES for 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine is CC(C)c1ccnc(-c2[c-]ccc3c2sc2ccccc23)c1.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.Cc1ccc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)nc1.FC(F)(F)c1c[c-]c(-c2nnc(-c3ccccc3)nn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccccc1-c1nnc(-c2ccccc2)nn1.[c-]1ccsc1-c1nnc(-c2cccs2)nn1.
What is the InChIKey of 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
The InChIKey is ORWXVZZFUZOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20NSi.C24H16NOSe.C21H18N.C20H16NS.C15H8F3N4.2C14H9N4.C10H5N4S2.4Ir/c1-3-12-22(13-4-1)31(23-14-5-2-6-15-23)28-20-8-7-16-24(28)25-17-11-18-26(29(25)31)27-19-9-10-21-30-27;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;1-14-11-12-19(22-13-14)17-9-6-8-16-15-7-4-5-10-18(15)21(2,3)20(16)17;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;16-15(17,18)12-8-6-11(7-9-12)14-21-19-13(20-22-14)10-4-2-1-3-5-10;2*1-3-7-11(8-4-1)13-15-17-14(18-16-13)12-9-5-2-6-10-12;1-3-7(15-5-1)9-11-13-10(14-12-9)8-4-2-6-16-8;;;;/h1-17,19-21H;2-8,10-15H,1H3;4-8,10-13H,1-3H3;3-7,9-13H,1-2H3;1-6,8-9H;2*1-9H;1-3,5-6H;;;;/q8*-1;;;;.
What are the key properties of 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine?
2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine has a molecular weight of 3192.67 g/mol, XLogP of 31.43, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-ylpyridine;2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-5-methylpyridine;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;bis(6-phenyl-3-phenyl-1,2,4,5-tetrazine);3-phenyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2,4,5-tetrazine;3-(3H-thiophen-3-id-2-yl)-6-thiophen-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 159024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).