(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile

C24H24N2S — CID 102125978

IUPAC(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile
SMILESCCCCCCc1ccc(-c2ccc(/C(C#N)=C/c3ccncc3)cc2)s1
InChIInChI=1S/C24H24N2S/c1-2-3-4-5-6-23-11-12-24(27-23)21-9-7-20(8-10-21)22(18-25)17-19-13-15-26-16-14-19/h7-17H,2-6H2,1H3/b22-17+
InChIKeyCIUVREANPMLLPM-OQKWZONESA-N
MW372.54 g/mol
LogP7.00
Rot. Bonds8

About (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile

(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile (PubChem CID 102125978) has the molecular formula C24H24N2S and a molecular weight of 372.54 g/mol. Its IUPAC name is (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile
PubChem CID102125978
Molecular FormulaC24H24N2S
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC Name(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile
SMILESCCCCCCc1ccc(-c2ccc(/C(C#N)=C/c3ccncc3)cc2)s1
InChIInChI=1S/C24H24N2S/c1-2-3-4-5-6-23-11-12-24(27-23)21-9-7-20(8-10-21)22(18-25)17-19-13-15-26-16-14-19/h7-17H,2-6H2,1H3/b22-17+
InChIKeyCIUVREANPMLLPM-OQKWZONESA-N
XLogP7.00
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2,3-dipyridin-4-ylprop-2-enenitrile
CID 3390949
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
2-(4-butoxyphenyl)-3-(4-hexylphenyl)prop-2-enenitrile
CID 54280017
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
(2E,4E)-2-[4-(5-pentylthiophen-2-yl)phenyl]hexa-2,4-dienoic acid
CID 172728013
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
5,8-dibromo-2,3-bis[4-(5-octylthiophen-2-yl)phenyl]quinoxaline
CID 141341816
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2,5-diheptylthiophene
CID 607114

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile (CID 102125978) is (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile is CCCCCCc1ccc(-c2ccc(/C(C#N)=C/c3ccncc3)cc2)s1.
What is the InChIKey of (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile?
The InChIKey is CIUVREANPMLLPM-OQKWZONESA-N. The full InChI is InChI=1S/C24H24N2S/c1-2-3-4-5-6-23-11-12-24(27-23)21-9-7-20(8-10-21)22(18-25)17-19-13-15-26-16-14-19/h7-17H,2-6H2,1H3/b22-17+.
What are the key properties of (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile?
(Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile has a molecular weight of 372.54 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-(5-hexylthiophen-2-yl)phenyl]-3-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 102125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).