2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

C34H39N3 — CID 102277435

IUPAC2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCCCCC(CC)CN1C=C(C)C(=c2c(C)cc(=CC=c3ccc(=C(C#N)C#N)cc3)cc2C)C(C)=C1
InChIInChI=1S/C34H39N3/c1-7-9-10-28(8-2)23-37-21-26(5)34(27(6)22-37)33-24(3)17-30(18-25(33)4)12-11-29-13-15-31(16-14-29)32(19-35)20-36/h11-18,21-22,28H,7-10,23H2,1-6H3
InChIKeyAHUHJFHHTXSTLG-UHFFFAOYSA-N
MW489.71 g/mol
LogP5.25
Rot. Bonds7

About 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 102277435) has the molecular formula C34H39N3 and a molecular weight of 489.71 g/mol. Its IUPAC name is 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID102277435
Molecular FormulaC34H39N3
Molecular Weight489.71 g/mol
Exact Mass489.31
IUPAC Name2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCCCCC(CC)CN1C=C(C)C(=c2c(C)cc(=CC=c3ccc(=C(C#N)C#N)cc3)cc2C)C(C)=C1
InChIInChI=1S/C34H39N3/c1-7-9-10-28(8-2)23-37-21-26(5)34(27(6)22-37)33-24(3)17-30(18-25(33)4)12-11-29-13-15-31(16-14-29)32(19-35)20-36/h11-18,21-22,28H,7-10,23H2,1-6H3
InChIKeyAHUHJFHHTXSTLG-UHFFFAOYSA-N
XLogP5.25
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile with MolForge

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Related Compounds

2-{4-[3,5-Dimethyl-1-(2-propyl-heptyl)-1h-pyridin-4-ylidene]-3,5-dimethyl-cyclohexa-2,5-dienylidene}-malononitrile
CID 87228603
2-[4-[(3E,5E)-6-fluoroocta-1,3,5-trien-3-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]acetonitrile
CID 143465420
2-[3-[Bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanedinitrile
CID 25093736
2-[3-[Bis(2-ethylhexyl)amino]-5-methylcyclohex-2-en-1-ylidene]propanedinitrile
CID 57764398
2-[4-(2-{4-[3,5-Dimethyl-1-(2-propyl-heptyl)-1h-pyridin-4-ylidene]-3,5-dimethyl-cyclohexa-2,5-dienylidene}-ethylidene)-cyclohexa-2,5-dienylidene]-malononitrile
CID 87228450
2-[3-[2-Ethylhexyl(2-ethylpentyl)amino]cyclohex-2-en-1-ylidene]propanedinitrile
CID 117750303
2-[3-[2-Ethylbutyl(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanedinitrile
CID 123592140
(2Z)-2-[3-[bis(2-ethylhexyl)amino]cyclohex-2-en-1-ylidene]propanenitrile
CID 143726058
2-[3-[2-Ethylhexyl(2-methylhexyl)amino]cyclohex-2-en-1-ylidene]propanedinitrile
CID 156040700
6,13-Bis(2-octyldodecyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,7,9,11,15-heptaene
CID 175717858
2-[7-(dioctylamino)-4,4a,5,6,10,10a-hexahydro-3H-anthracen-2-ylidene]propanedinitrile
CID 100991688
2-[4-[2-[4-[2-[4-[3,5-Dimethyl-1-(2-propylheptyl)-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 101390955

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 102277435) is 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is CCCCC(CC)CN1C=C(C)C(=c2c(C)cc(=CC=c3ccc(=C(C#N)C#N)cc3)cc2C)C(C)=C1.
What is the InChIKey of 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is AHUHJFHHTXSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3/c1-7-9-10-28(8-2)23-37-21-26(5)34(27(6)22-37)33-24(3)17-30(18-25(33)4)12-11-29-13-15-31(16-14-29)32(19-35)20-36/h11-18,21-22,28H,7-10,23H2,1-6H3.
What are the key properties of 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 489.71 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[1-(2-ethylhexyl)-3,5-dimethyl-4-pyridinylidene]-3,5-dimethylcyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 102277435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).