2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine

C30H24N4S — CID 101461246

IUPAC2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine
SMILESCc1ccnc(-c2cc(/C=C/c3ccc(/C=C/c4ccnc(-c5cc(C)ccn5)c4)s3)ccn2)c1
InChIInChI=1S/C30H24N4S/c1-21-9-13-31-27(17-21)29-19-23(11-15-33-29)3-5-25-7-8-26(35-25)6-4-24-12-16-34-30(20-24)28-18-22(2)10-14-32-28/h3-20H,1-2H3/b5-3+,6-4+
InChIKeyYBIXEZCRQWYWEU-GGWOSOGESA-N
MW472.62 g/mol
LogP7.62
Rot. Bonds6

About 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine

2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine (PubChem CID 101461246) has the molecular formula C30H24N4S and a molecular weight of 472.62 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine
PubChem CID101461246
Molecular FormulaC30H24N4S
Molecular Weight472.62 g/mol
Exact Mass472.17
IUPAC Name2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine
SMILESCc1ccnc(-c2cc(/C=C/c3ccc(/C=C/c4ccnc(-c5cc(C)ccn5)c4)s3)ccn2)c1
InChIInChI=1S/C30H24N4S/c1-21-9-13-31-27(17-21)29-19-23(11-15-33-29)3-5-25-7-8-26(35-25)6-4-24-12-16-34-30(20-24)28-18-22(2)10-14-32-28/h3-20H,1-2H3/b5-3+,6-4+
InChIKeyYBIXEZCRQWYWEU-GGWOSOGESA-N
XLogP7.62
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.62
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine (CID 101461246) is 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine is Cc1ccnc(-c2cc(/C=C/c3ccc(/C=C/c4ccnc(-c5cc(C)ccn5)c4)s3)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine?
The InChIKey is YBIXEZCRQWYWEU-GGWOSOGESA-N. The full InChI is InChI=1S/C30H24N4S/c1-21-9-13-31-27(17-21)29-19-23(11-15-33-29)3-5-25-7-8-26(35-25)6-4-24-12-16-34-30(20-24)28-18-22(2)10-14-32-28/h3-20H,1-2H3/b5-3+,6-4+.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine?
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine has a molecular weight of 472.62 g/mol, XLogP of 7.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-[(E)-2-[5-[(E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]ethenyl]thiophen-2-yl]ethenyl]pyridine is sourced from PubChem (CID 101461246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).