2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine

C49H29N5S6 — CID 102326398

IUPAC2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
SMILESc1cc(-c2cccs2)nc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(-c6ccc(-c7cccc(-c8ccc(-c9cccc(-c%10cccs%10)n9)s8)n7)s6)n5)s4)n3)s2)c1
InChIInChI=1S/C49H29N5S6/c1-8-30(40-18-6-28-55-40)50-32(10-1)42-20-22-44(57-42)34-12-3-14-36(52-34)46-24-26-48(59-46)38-16-5-17-39(54-38)49-27-25-47(60-49)37-15-4-13-35(53-37)45-23-21-43(58-45)33-11-2-9-31(51-33)41-19-7-29-56-41/h1-29H
InChIKeyOMGLRPCVMBOUCJ-UHFFFAOYSA-N
MW880.21 g/mol
LogP15.70
Rot. Bonds10

About 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine

2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine (PubChem CID 102326398) has the molecular formula C49H29N5S6 and a molecular weight of 880.21 g/mol. Its IUPAC name is 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
PubChem CID102326398
Molecular FormulaC49H29N5S6
Molecular Weight880.21 g/mol
Exact Mass879.07
IUPAC Name2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
SMILESc1cc(-c2cccs2)nc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(-c6ccc(-c7cccc(-c8ccc(-c9cccc(-c%10cccs%10)n9)s8)n7)s6)n5)s4)n3)s2)c1
InChIInChI=1S/C49H29N5S6/c1-8-30(40-18-6-28-55-40)50-32(10-1)42-20-22-44(57-42)34-12-3-14-36(52-34)46-24-26-48(59-46)38-16-5-17-39(54-38)49-27-25-47(60-49)37-15-4-13-35(53-37)45-23-21-43(58-45)33-11-2-9-31(51-33)41-19-7-29-56-41/h1-29H
InChIKeyOMGLRPCVMBOUCJ-UHFFFAOYSA-N
XLogP15.70
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.21
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-3-[6-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
CID 15426250
2-tert-butyl-6-thiophen-2-ylpyridine
CID 15128602
5-thiophen-2-yl-3-[6-[6-(5-thiophen-2-yl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 15440910
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
CID 2739891
2,3-diiodo-6-thiophen-2-ylpyridine
CID 118059126
8-fluoro-2-thiophen-2-ylquinoline
CID 142776739
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
2-pyridin-2-yl-4,6-dithiophen-2-ylpyridine
CID 10734487
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine?
The IUPAC name of 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine (CID 102326398) is 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine is c1cc(-c2cccs2)nc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(-c6ccc(-c7cccc(-c8ccc(-c9cccc(-c%10cccs%10)n9)s8)n7)s6)n5)s4)n3)s2)c1.
What is the InChIKey of 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine?
The InChIKey is OMGLRPCVMBOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N5S6/c1-8-30(40-18-6-28-55-40)50-32(10-1)42-20-22-44(57-42)34-12-3-14-36(52-34)46-24-26-48(59-46)38-16-5-17-39(54-38)49-27-25-47(60-49)37-15-4-13-35(53-37)45-23-21-43(58-45)33-11-2-9-31(51-33)41-19-7-29-56-41/h1-29H.
What are the key properties of 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine?
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine has a molecular weight of 880.21 g/mol, XLogP of 15.70, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 102326398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).