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

C35H19N7S6 — CID 15426250

IUPAC5-[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
SMILESc1cc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)nc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)c1
InChIInChI=1S/C35H19N7S6/c1-4-20(34-39-22(18-36-41-34)24-8-10-30(45-24)32-14-12-28(47-32)26-6-2-16-43-26)38-21(5-1)35-40-23(19-37-42-35)25-9-11-31(46-25)33-15-13-29(48-33)27-7-3-17-44-27/h1-19H
InChIKeyMPQRRNYLCWVLRJ-UHFFFAOYSA-N
MW729.99 g/mol
LogP11.16
Rot. Bonds8

About 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

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 (PubChem CID 15426250) has the molecular formula C35H19N7S6 and a molecular weight of 729.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID15426250
Molecular FormulaC35H19N7S6
Molecular Weight729.99 g/mol
Exact Mass729.00
IUPAC Name5-[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
SMILESc1cc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)nc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)c1
InChIInChI=1S/C35H19N7S6/c1-4-20(34-39-22(18-36-41-34)24-8-10-30(45-24)32-14-12-28(47-32)26-6-2-16-43-26)38-21(5-1)35-40-23(19-37-42-35)25-9-11-31(46-25)33-15-13-29(48-33)27-7-3-17-44-27/h1-19H
InChIKeyMPQRRNYLCWVLRJ-UHFFFAOYSA-N
XLogP11.16
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500729.99
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
4-(5-thiophen-2-ylthiophen-2-yl)pyrimidin-2-amine
CID 2739891
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 6417104
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
CID 82479940
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
CID 139982091
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)nc(-c2nncc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)n2)c1.
What is the InChIKey of 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?
The InChIKey is MPQRRNYLCWVLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N7S6/c1-4-20(34-39-22(18-36-41-34)24-8-10-30(45-24)32-14-12-28(47-32)26-6-2-16-43-26)38-21(5-1)35-40-23(19-37-42-35)25-9-11-31(46-25)33-15-13-29(48-33)27-7-3-17-44-27/h1-19H.
What are the key properties of 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?
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 has a molecular weight of 729.99 g/mol, XLogP of 11.16, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 15426250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).