2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene

C30H18S4 — CID 23596942

IUPAC2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
SMILESc1csc(-c2ccc(-c3ccc4cc5cc(-c6ccc(-c7cccs7)s6)ccc5cc4c3)s2)c1
InChIInChI=1S/C30H18S4/c1-3-27(31-13-1)29-11-9-25(33-29)21-7-5-19-16-24-18-22(8-6-20(24)15-23(19)17-21)26-10-12-30(34-26)28-4-2-14-32-28/h1-18H
InChIKeyKPGVONCHAQLAIV-UHFFFAOYSA-N
MW506.74 g/mol
LogP10.91
Rot. Bonds4

About 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene

2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene (PubChem CID 23596942) has the molecular formula C30H18S4 and a molecular weight of 506.74 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
PubChem CID23596942
Molecular FormulaC30H18S4
Molecular Weight506.74 g/mol
Exact Mass506.03
IUPAC Name2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
SMILESc1csc(-c2ccc(-c3ccc4cc5cc(-c6ccc(-c7cccs7)s6)ccc5cc4c3)s2)c1
InChIInChI=1S/C30H18S4/c1-3-27(31-13-1)29-11-9-25(33-29)21-7-5-19-16-24-18-22(8-6-20(24)15-23(19)17-21)26-10-12-30(34-26)28-4-2-14-32-28/h1-18H
InChIKeyKPGVONCHAQLAIV-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
2-fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
CID 155806543
[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]boronic acid
CID 101473229
2-thiophen-2-yl-5-[4-(2,2,2-trifluoroethyl)phenyl]thiophene
CID 163635945
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815
7-methyl-17-thiophen-2-yl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 134299494
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene?
The IUPAC name of 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene (CID 23596942) is 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene.
What is the SMILES notation for 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene?
The canonical SMILES for 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene is c1csc(-c2ccc(-c3ccc4cc5cc(-c6ccc(-c7cccs7)s6)ccc5cc4c3)s2)c1.
What is the InChIKey of 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene?
The InChIKey is KPGVONCHAQLAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18S4/c1-3-27(31-13-1)29-11-9-25(33-29)21-7-5-19-16-24-18-22(8-6-20(24)15-23(19)17-21)26-10-12-30(34-26)28-4-2-14-32-28/h1-18H.
What are the key properties of 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene?
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene has a molecular weight of 506.74 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene is sourced from PubChem (CID 23596942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).