4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium

C30H39N2+ — CID 123169263

IUPAC4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
SMILESC=CC=c1c(C=C)nc(CC2(C)[N+](C)=C(C(=C)C)C(C=CC)=C(C=C)C2(C)C)cc1=CC
InChIInChI=1S/C30H39N2/c1-12-17-24-22(14-3)19-23(31-27(24)16-5)20-30(10)29(8,9)26(15-4)25(18-13-2)28(21(6)7)32(30)11/h12-19H,1,4-6,20H2,2-3,7-11H3/q+1
InChIKeyUBNYLEDQQZLIDX-UHFFFAOYSA-N
MW427.66 g/mol
LogP5.55
Rot. Bonds7

About 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium

4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium (PubChem CID 123169263) has the molecular formula C30H39N2+ and a molecular weight of 427.66 g/mol. Its IUPAC name is 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium.

Molecular Properties

Compound Name4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
PubChem CID123169263
Molecular FormulaC30H39N2+
Molecular Weight427.66 g/mol
Exact Mass427.31
IUPAC Name4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium
SMILESC=CC=c1c(C=C)nc(CC2(C)[N+](C)=C(C(=C)C)C(C=CC)=C(C=C)C2(C)C)cc1=CC
InChIInChI=1S/C30H39N2/c1-12-17-24-22(14-3)19-23(31-27(24)16-5)20-30(10)29(8,9)26(15-4)25(18-13-2)28(21(6)7)32(30)11/h12-19H,1,4-6,20H2,2-3,7-11H3/q+1
InChIKeyUBNYLEDQQZLIDX-UHFFFAOYSA-N
XLogP5.55
TPSA15.90 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.66
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

But-1-en-2-yl-(4-ethyl-3,4-dimethyl-5-methylideneheptan-3-yl)-(6-ethylidenecyclohex-2-en-1-ylidene)azanium
CID 91490113
2,3-Diethyl-2,3,9,9,12-pentamethyl-7-methylidene-1-azoniatricyclo[6.3.2.04,13]trideca-1(12),4(13),5,10-tetraene
CID 123158765
6-But-1-en-2-yl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123681175
6-Ethenyl-1,2,2,3,3,4-hexamethyl-5-prop-1-enylpyridin-1-ium
CID 123781108
1-But-2-en-2-yl-2,2,3-triethyl-3,6-dimethyl-5-methylidene-4-prop-2-enylidenepyridin-1-ium
CID 123892674

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium?
The IUPAC name of 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium (CID 123169263) is 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium.
What is the SMILES notation for 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium?
The canonical SMILES for 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium is C=CC=c1c(C=C)nc(CC2(C)[N+](C)=C(C(=C)C)C(C=CC)=C(C=C)C2(C)C)cc1=CC.
What is the InChIKey of 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium?
The InChIKey is UBNYLEDQQZLIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N2/c1-12-17-24-22(14-3)19-23(31-27(24)16-5)20-30(10)29(8,9)26(15-4)25(18-13-2)28(21(6)7)32(30)11/h12-19H,1,4-6,20H2,2-3,7-11H3/q+1.
What are the key properties of 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium?
4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium has a molecular weight of 427.66 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-[(6-ethenyl-4-ethylidene-5-prop-2-enylidene-2-pyridinyl)methyl]-1,2,3,3-tetramethyl-5-prop-1-enyl-6-prop-1-en-2-ylpyridin-1-ium is sourced from PubChem (CID 123169263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).