2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine

C37H29N5 — CID 101036344

IUPAC2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine
SMILESC=Cc1cccc(/C=C/c2cccc(/C=C/c3cccc(/C=C/c4cccc(/C=C/c5cccc(C=C)n5)n4)n3)n2)n1
InChIInChI=1S/C37H29N5/c1-3-28-10-5-12-30(38-28)20-22-32-14-7-16-34(40-32)24-26-36-18-9-19-37(42-36)27-25-35-17-8-15-33(41-35)23-21-31-13-6-11-29(4-2)39-31/h3-27H,1-2H2/b22-20+,23-21+,26-24+,27-25+
InChIKeyNMMIVAOFNNNBIO-URPLCLEOSA-N
MW543.67 g/mol
LogP8.63
Rot. Bonds10

About 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine

2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine (PubChem CID 101036344) has the molecular formula C37H29N5 and a molecular weight of 543.67 g/mol. Its IUPAC name is 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine
PubChem CID101036344
Molecular FormulaC37H29N5
Molecular Weight543.67 g/mol
Exact Mass543.24
IUPAC Name2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine
SMILESC=Cc1cccc(/C=C/c2cccc(/C=C/c3cccc(/C=C/c4cccc(/C=C/c5cccc(C=C)n5)n4)n3)n2)n1
InChIInChI=1S/C37H29N5/c1-3-28-10-5-12-30(38-28)20-22-32-14-7-16-34(40-32)24-26-36-18-9-19-37(42-36)27-25-35-17-8-15-33(41-35)23-21-31-13-6-11-29(4-2)39-31/h3-27H,1-2H2/b22-20+,23-21+,26-24+,27-25+
InChIKeyNMMIVAOFNNNBIO-URPLCLEOSA-N
XLogP8.63
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.67
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine?
The IUPAC name of 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine (CID 101036344) is 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine.
What is the SMILES notation for 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine?
The canonical SMILES for 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine is C=Cc1cccc(/C=C/c2cccc(/C=C/c3cccc(/C=C/c4cccc(/C=C/c5cccc(C=C)n5)n4)n3)n2)n1.
What is the InChIKey of 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine?
The InChIKey is NMMIVAOFNNNBIO-URPLCLEOSA-N. The full InChI is InChI=1S/C37H29N5/c1-3-28-10-5-12-30(38-28)20-22-32-14-7-16-34(40-32)24-26-36-18-9-19-37(42-36)27-25-35-17-8-15-33(41-35)23-21-31-13-6-11-29(4-2)39-31/h3-27H,1-2H2/b22-20+,23-21+,26-24+,27-25+.
What are the key properties of 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine?
2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine has a molecular weight of 543.67 g/mol, XLogP of 8.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(E)-2-[6-[(E)-2-(6-ethenyl-2-pyridinyl)ethenyl]-2-pyridinyl]ethenyl]pyridine is sourced from PubChem (CID 101036344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).