2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)

C123H102F2Ir4N9O8PtRhS2-4 — CID 157298024

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Rh+3].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/2C13H8NS.C11H6F2N.6C11H8N.4C5H8O2.4Ir.Pt.Rh/c1-2-7-12-10(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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-4(6)3-5(2)7;;;;;;/h1-8H;1-6,8-9H;1-4,6-7H;6*1-6,8-9H;4*3,6H,1-2H3;;;;;;/q9*-1;;;;;;;;;+2;+3
InChIKeyHRFRKMHZKSYIRH-UHFFFAOYSA-N
MW3003.21 g/mol
LogP29.78
Rot. Bonds13

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+) (PubChem CID 157298024) has the molecular formula C123H102F2Ir4N9O8PtRhS2-4 and a molecular weight of 3003.21 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+).

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)
PubChem CID157298024
Molecular FormulaC123H102F2Ir4N9O8PtRhS2-4
Molecular Weight3003.21 g/mol
Exact Mass3004.45
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Rh+3].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/2C13H8NS.C11H6F2N.6C11H8N.4C5H8O2.4Ir.Pt.Rh/c1-2-7-12-10(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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-4(6)3-5(2)7;;;;;;/h1-8H;1-6,8-9H;1-4,6-7H;6*1-6,8-9H;4*3,6H,1-2H3;;;;;;/q9*-1;;;;;;;;;+2;+3
InChIKeyHRFRKMHZKSYIRH-UHFFFAOYSA-N
XLogP29.78
TPSA265.21 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003003.21
LogP ≤ 529.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+) (CID 157298024) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+).
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].[Pt+2].[Rh+3].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)?
The InChIKey is HRFRKMHZKSYIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H8NS.C11H6F2N.6C11H8N.4C5H8O2.4Ir.Pt.Rh/c1-2-7-12-10(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;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;6*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*1-4(6)3-5(2)7;;;;;;/h1-8H;1-6,8-9H;1-4,6-7H;6*1-6,8-9H;4*3,6H,1-2H3;;;;;;/q9*-1;;;;;;;;;+2;+3.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+)?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+) has a molecular weight of 3003.21 g/mol, XLogP of 29.78, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-phenyl-1,3-benzothiazole;hexakis(2-phenylpyridine);platinum(2+);rhodium(3+) is sourced from PubChem (CID 157298024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).