carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide

C43H41CoIS8 — CID 162275359

IUPACcarbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide
SMILESC1CCCC1.I.[CH3-].[CH3-].[Co+2].c1csc(-c2ccc(C3C(c4ccc(-c5cccs5)s4)C(c4ccc(-c5cccs5)s4)C3c3ccc(-c4cccs4)s3)s2)c1
InChIInChI=1S/C36H24S8.C5H10.2CH3.Co.HI/c1-5-21(37-17-1)25-9-13-29(41-25)33-34(30-14-10-26(42-30)22-6-2-18-38-22)36(32-16-12-28(44-32)24-8-4-20-40-24)35(33)31-15-11-27(43-31)23-7-3-19-39-23;1-2-4-5-3-1;;;;/h1-20,33-36H;1-5H2;2*1H3;;1H/q;;2*-1;+2;
InChIKeyFNRWICYHNZIEAB-UHFFFAOYSA-N
MW1000.17 g/mol
LogP17.76
Rot. Bonds8

About carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide

carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide (PubChem CID 162275359) has the molecular formula C43H41CoIS8 and a molecular weight of 1000.17 g/mol. Its IUPAC name is carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide.

Molecular Properties

Compound Namecarbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide
PubChem CID162275359
Molecular FormulaC43H41CoIS8
Molecular Weight1000.17 g/mol
Exact Mass998.94
IUPAC Namecarbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide
SMILESC1CCCC1.I.[CH3-].[CH3-].[Co+2].c1csc(-c2ccc(C3C(c4ccc(-c5cccs5)s4)C(c4ccc(-c5cccs5)s4)C3c3ccc(-c4cccs4)s3)s2)c1
InChIInChI=1S/C36H24S8.C5H10.2CH3.Co.HI/c1-5-21(37-17-1)25-9-13-29(41-25)33-34(30-14-10-26(42-30)22-6-2-18-38-22)36(32-16-12-28(44-32)24-8-4-20-40-24)35(33)31-15-11-27(43-31)23-7-3-19-39-23;1-2-4-5-3-1;;;;/h1-20,33-36H;1-5H2;2*1H3;;1H/q;;2*-1;+2;
InChIKeyFNRWICYHNZIEAB-UHFFFAOYSA-N
XLogP17.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.17
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydrothiophen-2-yl)-5-thiophen-2-ylthiophene
CID 123291571
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5-(5-thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
(2R,3S,5S)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
CID 15868126
(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
CID 59919945
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2-(5-thiophen-2-ylthiophen-2-yl)-2H-thiopyran-6-carbaldehyde
CID 143972105
N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
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5-thiophen-2-ylthiophene-2-carbonitrile
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2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
(1R)-N-methyl-1-(5-thiophen-2-ylthiophen-2-yl)ethanamine
CID 96704192

Frequently Asked Questions

What is the IUPAC name of carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide?
The IUPAC name of carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide (CID 162275359) is carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide.
What is the SMILES notation for carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide?
The canonical SMILES for carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide is C1CCCC1.I.[CH3-].[CH3-].[Co+2].c1csc(-c2ccc(C3C(c4ccc(-c5cccs5)s4)C(c4ccc(-c5cccs5)s4)C3c3ccc(-c4cccs4)s3)s2)c1.
What is the InChIKey of carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide?
The InChIKey is FNRWICYHNZIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S8.C5H10.2CH3.Co.HI/c1-5-21(37-17-1)25-9-13-29(41-25)33-34(30-14-10-26(42-30)22-6-2-18-38-22)36(32-16-12-28(44-32)24-8-4-20-40-24)35(33)31-15-11-27(43-31)23-7-3-19-39-23;1-2-4-5-3-1;;;;/h1-20,33-36H;1-5H2;2*1H3;;1H/q;;2*-1;+2;.
What are the key properties of carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide?
carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide has a molecular weight of 1000.17 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide is sourced from PubChem (CID 162275359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).