2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene

C28H20S4 — CID 102203513

IUPAC2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)c4ccccc34)s2)s1
InChIInChI=1S/C28H20S4/c1-17-7-11-25(29-17)27-15-13-23(31-27)21-9-10-22(20-6-4-3-5-19(20)21)24-14-16-28(32-24)26-12-8-18(2)30-26/h3-16H,1-2H3
InChIKeyXAFSDBPJLQFIMP-UHFFFAOYSA-N
MW484.74 g/mol
LogP10.37
Rot. Bonds4

About 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene

2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene (PubChem CID 102203513) has the molecular formula C28H20S4 and a molecular weight of 484.74 g/mol. Its IUPAC name is 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
PubChem CID102203513
Molecular FormulaC28H20S4
Molecular Weight484.74 g/mol
Exact Mass484.04
IUPAC Name2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)c4ccccc34)s2)s1
InChIInChI=1S/C28H20S4/c1-17-7-11-25(29-17)27-15-13-23(31-27)21-9-10-22(20-6-4-3-5-19(20)21)24-14-16-28(32-24)26-12-8-18(2)30-26/h3-16H,1-2H3
InChIKeyXAFSDBPJLQFIMP-UHFFFAOYSA-N
XLogP10.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.74
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-(5-methylthiophen-2-yl)aniline
CID 13413493
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
5,8-bis(5-methylthiophen-2-yl)quinoxaline
CID 58982512
N,N-dimethyl-2-(5-methylthiophen-2-yl)aniline
CID 139326802
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
4,7-bis(5-methylthiophen-2-yl)-2,1,3-benzoselenadiazole
CID 140616520
2-(1,5-didecoxy-6-methylnaphthalen-2-yl)-5-(5-methylthiophen-2-yl)thiophene
CID 121308594
1-chloro-4-(5-methylthiophen-2-yl)phthalazine
CID 43115278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene (CID 102203513) is 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)c4ccccc34)s2)s1.
What is the InChIKey of 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene?
The InChIKey is XAFSDBPJLQFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20S4/c1-17-7-11-25(29-17)27-15-13-23(31-27)21-9-10-22(20-6-4-3-5-19(20)21)24-14-16-28(32-24)26-12-8-18(2)30-26/h3-16H,1-2H3.
What are the key properties of 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene?
2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene has a molecular weight of 484.74 g/mol, XLogP of 10.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-[4-[5-(5-methylthiophen-2-yl)thiophen-2-yl]naphthalen-1-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 102203513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).