2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine

C25H27N — CID 145357948

IUPAC2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
SMILESC=C/C=C\C(=C/C)c1ccc(-c2cc(C(/C=C\C)=C/C)cc(C)n2)cc1
InChIInChI=1S/C25H27N/c1-6-10-12-21(9-4)22-13-15-23(16-14-22)25-18-24(17-19(5)26-25)20(8-3)11-7-2/h6-18H,1H2,2-5H3/b11-7-,12-10-,20-8+,21-9+
InChIKeyZZKJLLUXSHOYHR-KYWUBUAXSA-N
MW341.50 g/mol
LogP7.18
Rot. Bonds6

About 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine

2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine (PubChem CID 145357948) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
PubChem CID145357948
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
SMILESC=C/C=C\C(=C/C)c1ccc(-c2cc(C(/C=C\C)=C/C)cc(C)n2)cc1
InChIInChI=1S/C25H27N/c1-6-10-12-21(9-4)22-13-15-23(16-14-22)25-18-24(17-19(5)26-25)20(8-3)11-7-2/h6-18H,1H2,2-5H3/b11-7-,12-10-,20-8+,21-9+
InChIKeyZZKJLLUXSHOYHR-KYWUBUAXSA-N
XLogP7.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
CID 142183430
ethane;4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2-methylsulfanyl-6-phenylpyridine
CID 145144742
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-4-(4-methylphenyl)-1,3,5-triazine
CID 144914945
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-phenyl-6-[4-[1-phenyl-1-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]ethyl]phenyl]pyrimidine
CID 130392520
4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenol
CID 126711831
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
CID 177242731
CID 177242731

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine?
The IUPAC name of 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine (CID 145357948) is 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine is C=C/C=C\C(=C/C)c1ccc(-c2cc(C(/C=C\C)=C/C)cc(C)n2)cc1.
What is the InChIKey of 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine?
The InChIKey is ZZKJLLUXSHOYHR-KYWUBUAXSA-N. The full InChI is InChI=1S/C25H27N/c1-6-10-12-21(9-4)22-13-15-23(16-14-22)25-18-24(17-19(5)26-25)20(8-3)11-7-2/h6-18H,1H2,2-5H3/b11-7-,12-10-,20-8+,21-9+.
What are the key properties of 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine?
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine has a molecular weight of 341.50 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine is sourced from PubChem (CID 145357948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).