2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

C137H138F3Ir2N14O4OsP2Pt2RuS3- — CID 159579519

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)C2=NC1=CC1=C(CC)C(CC)C(CC3N=C(C=c4[n-]c(c(CC)c4CC)=C2)C(CC)=C3CC)[N-]1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Os+].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccncc1.c1ccncc1
InChIInChI=1S/C36H48N4.2C13H8NS.2C13H13P.C11H8N.C9H6F3N4.C9H6NS.2C5H5N.2C5H8O2.2Ir.Os.2Pt.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;;;;;/h17-19,26,34,36H,9-16,20H2,1-8H3;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;2-4H,1H3;1-4,6-7H;2*1-5H;2*3,6H,1-2H3;;;;;;/q-2;2*-1;;;3*-1;;;;;;;+1;;+2;+1/p+2
InChIKeyZMDRZJGQEBWTNM-UHFFFAOYSA-P
MW3325.74 g/mol
LogP31.27
Rot. Bonds19

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 159579519) has the molecular formula C137H138F3Ir2N14O4OsP2Pt2RuS3- and a molecular weight of 3325.74 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID159579519
Molecular FormulaC137H138F3Ir2N14O4OsP2Pt2RuS3-
Molecular Weight3325.74 g/mol
Exact Mass3327.68
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)C2=NC1=CC1=C(CC)C(CC)C(CC3N=C(C=c4[n-]c(c(CC)c4CC)=C2)C(CC)=C3CC)[N-]1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Os+].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccncc1.c1ccncc1
InChIInChI=1S/C36H48N4.2C13H8NS.2C13H13P.C11H8N.C9H6F3N4.C9H6NS.2C5H5N.2C5H8O2.2Ir.Os.2Pt.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;;;;;/h17-19,26,34,36H,9-16,20H2,1-8H3;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;2-4H,1H3;1-4,6-7H;2*1-5H;2*3,6H,1-2H3;;;;;;/q-2;2*-1;;;3*-1;;;;;;;+1;;+2;+1/p+2
InChIKeyZMDRZJGQEBWTNM-UHFFFAOYSA-P
XLogP31.27
TPSA257.63 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003325.74
LogP ≤ 531.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine (CID 159579519) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)C2=NC1=CC1=C(CC)C(CC)C(CC3N=C(C=c4[n-]c(c(CC)c4CC)=C2)C(CC)=C3CC)[N-]1.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Os+].[Pt+2].[Pt].[Ru+].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccsc1-c1ccccn1.c1ccncc1.c1ccncc1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is ZMDRZJGQEBWTNM-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H48N4.2C13H8NS.2C13H13P.C11H8N.C9H6F3N4.C9H6NS.2C5H5N.2C5H8O2.2Ir.Os.2Pt.Ru/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;2*1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;;;;;/h17-19,26,34,36H,9-16,20H2,1-8H3;1-8H;1-6,8-9H;2*2-11H,1H3;1-6,8-9H;2-4H,1H3;1-4,6-7H;2*1-5H;2*3,6H,1-2H3;;;;;;/q-2;2*-1;;;3*-1;;;;;;;+1;;+2;+1/p+2.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3325.74 g/mol, XLogP of 31.27, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;2,3,7,8,12,13,17,18-octaethyl-1,2,19,20-tetrahydroporphyrin-21,23-diide;osmium(1+);2-phenyl-1,3-benzothiazole;2-phenylpyridine;platinum;platinum(2+);bis(pyridine);ruthenium(1+);2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 159579519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).