1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole

C50H50N2S9 — CID 102261352

IUPAC1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole
SMILESCCCCCCn1c(-c2ccc(SC)s2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(SC)s7)n6CCCCCC)s5)s4)s3)s2)s1
InChIInChI=1S/C50H50N2S9/c1-5-7-9-11-31-51-33(13-15-35(51)39-27-29-49(53-3)60-39)37-17-19-41(55-37)43-21-23-45(57-43)47-25-26-48(59-47)46-24-22-44(58-46)42-20-18-38(56-42)34-14-16-36(40-28-30-50(54-4)61-40)52(34)32-12-10-8-6-2/h13-30H,5-12,31-32H2,1-4H3
InChIKeyXGIGRWNMJAJJTO-UHFFFAOYSA-N
MW967.57 g/mol
LogP19.66
Rot. Bonds20

About 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole

1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole (PubChem CID 102261352) has the molecular formula C50H50N2S9 and a molecular weight of 967.57 g/mol. Its IUPAC name is 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole.

Molecular Properties

Compound Name1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole
PubChem CID102261352
Molecular FormulaC50H50N2S9
Molecular Weight967.57 g/mol
Exact Mass966.15
IUPAC Name1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole
SMILESCCCCCCn1c(-c2ccc(SC)s2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(SC)s7)n6CCCCCC)s5)s4)s3)s2)s1
InChIInChI=1S/C50H50N2S9/c1-5-7-9-11-31-51-33(13-15-35(51)39-27-29-49(53-3)60-39)37-17-19-41(55-37)43-21-23-45(57-43)47-25-26-48(59-47)46-24-22-44(58-46)42-20-18-38(56-42)34-14-16-36(40-28-30-50(54-4)61-40)52(34)32-12-10-8-6-2/h13-30H,5-12,31-32H2,1-4H3
InChIKeyXGIGRWNMJAJJTO-UHFFFAOYSA-N
XLogP19.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.57
LogP ≤ 519.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole with MolForge

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Related Compounds

2,5-bis(5-octylsulfanylthiophen-2-yl)thiophene
CID 71361773
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CID 15187094
9-octyl-3-[5-[5-[5-(9-octylcarbazol-3-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]carbazole
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CID 24746397
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CID 66897031
2-methylselanyl-5-methylsulfanylthiophene
CID 614278
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2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole?
The IUPAC name of 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole (CID 102261352) is 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole.
What is the SMILES notation for 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole?
The canonical SMILES for 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole is CCCCCCn1c(-c2ccc(SC)s2)ccc1-c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(SC)s7)n6CCCCCC)s5)s4)s3)s2)s1.
What is the InChIKey of 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole?
The InChIKey is XGIGRWNMJAJJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N2S9/c1-5-7-9-11-31-51-33(13-15-35(51)39-27-29-49(53-3)60-39)37-17-19-41(55-37)43-21-23-45(57-43)47-25-26-48(59-47)46-24-22-44(58-46)42-20-18-38(56-42)34-14-16-36(40-28-30-50(54-4)61-40)52(34)32-12-10-8-6-2/h13-30H,5-12,31-32H2,1-4H3.
What are the key properties of 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole?
1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole has a molecular weight of 967.57 g/mol, XLogP of 19.66, 20 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[5-[5-[5-[5-[5-[1-hexyl-5-(5-methylsulfanylthiophen-2-yl)pyrrol-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-methylsulfanylthiophen-2-yl)pyrrole is sourced from PubChem (CID 102261352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).