acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine

C25H23N — CID 142200345

IUPACacetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine
SMILESC#C.C/C=C\C=C/Cc1cc(/C=C/c2cccc3ccccc23)ccn1
InChIInChI=1S/C23H21N.C2H2/c1-2-3-4-5-12-22-18-19(16-17-24-22)14-15-21-11-8-10-20-9-6-7-13-23(20)21;1-2/h2-11,13-18H,12H2,1H3;1-2H/b3-2-,5-4-,15-14+;
InChIKeyGNXOSNLAGJFWBK-MBOCEEEGSA-N
MW337.47 g/mol
LogP6.33
Rot. Bonds5

About acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine

acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine (PubChem CID 142200345) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine.

Molecular Properties

Compound Nameacetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine
PubChem CID142200345
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Nameacetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine
SMILESC#C.C/C=C\C=C/Cc1cc(/C=C/c2cccc3ccccc23)ccn1
InChIInChI=1S/C23H21N.C2H2/c1-2-3-4-5-12-22-18-19(16-17-24-22)14-15-21-11-8-10-20-9-6-7-13-23(20)21;1-2/h2-11,13-18H,12H2,1H3;1-2H/b3-2-,5-4-,15-14+;
InChIKeyGNXOSNLAGJFWBK-MBOCEEEGSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 5475238
1-[2-[2-methyl-4-(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 71388289
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-methyl-5-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 6011457
1-[2-[2-(2-phenylethenyl)phenyl]ethenyl]naphthalene
CID 71399192
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)ethenyl]naphthalene
CID 54574596
dimethyl-[(E)-2-naphthalen-1-ylethenyl]-pyrimidin-2-ylsilane
CID 101268715
1-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54443966
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
CID 67805142
1-[2-(4-chlorophenyl)ethenyl]naphthalene
CID 85443671
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427

Frequently Asked Questions

What is the IUPAC name of acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine?
The IUPAC name of acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine (CID 142200345) is acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine.
What is the SMILES notation for acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine?
The canonical SMILES for acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine is C#C.C/C=C\C=C/Cc1cc(/C=C/c2cccc3ccccc23)ccn1.
What is the InChIKey of acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine?
The InChIKey is GNXOSNLAGJFWBK-MBOCEEEGSA-N. The full InChI is InChI=1S/C23H21N.C2H2/c1-2-3-4-5-12-22-18-19(16-17-24-22)14-15-21-11-8-10-20-9-6-7-13-23(20)21;1-2/h2-11,13-18H,12H2,1H3;1-2H/b3-2-,5-4-,15-14+;.
What are the key properties of acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine?
acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine has a molecular weight of 337.47 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[(E)-2-naphthalen-1-ylethenyl]pyridine is sourced from PubChem (CID 142200345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).