bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum

C143H142Ir5N9O11PtS2-5 — CID 157187163

IUPACbis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum
SMILESC.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C16H12N.2C15H10N.2C13H8NS.C10H8O.5C5H8O2.CH4.5Ir.Pt/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-10-7-3-5-8-4-1-2-6-9(8)10;5*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-7,11H;5*3,6H,1-2H3;1H4;;;;;;/q;5*-1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;
InChIKeyTXYVGZHKBHUGGB-JSPNKCDESA-N
MW3383.06 g/mol
LogP36.72
Rot. Bonds17

About bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum

bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum (PubChem CID 157187163) has the molecular formula C143H142Ir5N9O11PtS2-5 and a molecular weight of 3383.06 g/mol. Its IUPAC name is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum.

Molecular Properties

Compound Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum
PubChem CID157187163
Molecular FormulaC143H142Ir5N9O11PtS2-5
Molecular Weight3383.06 g/mol
Exact Mass3384.81
IUPAC Namebis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum
SMILESC.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C35H42N4.C16H12N.2C15H10N.2C13H8NS.C10H8O.5C5H8O2.CH4.5Ir.Pt/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-10-7-3-5-8-4-1-2-6-9(8)10;5*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-7,11H;5*3,6H,1-2H3;1H4;;;;;;/q;5*-1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;
InChIKeyTXYVGZHKBHUGGB-JSPNKCDESA-N
XLogP36.72
TPSA320.62 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003383.06
LogP ≤ 536.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

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'}

Analyze bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum?
The IUPAC name of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum (CID 157187163) is bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum.
What is the SMILES notation for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum?
The canonical SMILES for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum is C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.Cc1ccc2ccc(-c3[c-]cccc3)nc2c1.Oc1cccc2ccccc12.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1c(-c2ccccn2)sc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum?
The InChIKey is TXYVGZHKBHUGGB-JSPNKCDESA-N. The full InChI is InChI=1S/C35H42N4.C16H12N.2C15H10N.2C13H8NS.C10H8O.5C5H8O2.CH4.5Ir.Pt/c1-9-21-20(8)28-16-30-22(10-2)23(11-3)32(37-30)18-34-26(14-6)27(15-7)35(39-34)19-33-25(13-5)24(12-4)31(38-33)17-29(21)36-28;1-12-7-8-14-9-10-15(17-16(14)11-12)13-5-3-2-4-6-13;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;11-10-7-3-5-8-4-1-2-6-9(8)10;5*1-4(6)3-5(2)7;;;;;;;/h16-19H,9-15H2,1-8H3;2-5,7-11H,1H3;1-7,9-11H;1-6,8-11H;2*1-8H;1-7,11H;5*3,6H,1-2H3;1H4;;;;;;/q;5*-1;;;;;;;;;;;;;/b28-16-,29-17-,30-16-,31-17-,32-18-,33-19-,34-18-,35-19-;;;;;;;;;;;;;;;;;;.
What are the key properties of bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum?
bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum has a molecular weight of 3383.06 g/mol, XLogP of 36.72, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3H-1-benzothiophen-3-id-2-yl)pyridine);2,3,7,8,12,13,17-heptaethyl-18-methylporphyrin;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);methane;7-methyl-2-phenylquinoline;naphthalen-1-ol;1-phenylisoquinoline;2-phenylquinoline;platinum is sourced from PubChem (CID 157187163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).