N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline

C48H66N2 — CID 143498674

IUPACN-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C/CC(CC)CC)N(c1ccccc1)c1ccc(C(/C=C\CN(C/C=C\C=C/CC)C(/C=C\CC(CC)CC)=C/C)=C/C)cc1
InChIInChI=1S/C48H66N2/c1-9-17-18-19-23-39-49(45(16-8)33-24-28-41(11-3)12-4)40-26-30-43(15-7)44-35-37-48(38-36-44)50(47-31-21-20-22-32-47)46(27-10-2)34-25-29-42(13-5)14-6/h10,15-27,30-38,41-42H,2,9,11-14,28-29,39-40H2,1,3-8H3/b18-17-,23-19-,30-26-,33-24-,34-25-,43-15+,45-16+,46-27+
InChIKeyZVZLVSOWMXZDAN-DKJVRBFFSA-N
MW671.07 g/mol
LogP14.35
Rot. Bonds23

About N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline

N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline (PubChem CID 143498674) has the molecular formula C48H66N2 and a molecular weight of 671.07 g/mol. Its IUPAC name is N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline
PubChem CID143498674
Molecular FormulaC48H66N2
Molecular Weight671.07 g/mol
Exact Mass670.52
IUPAC NameN-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline
SMILESC=C/C=C(\C=C/CC(CC)CC)N(c1ccccc1)c1ccc(C(/C=C\CN(C/C=C\C=C/CC)C(/C=C\CC(CC)CC)=C/C)=C/C)cc1
InChIInChI=1S/C48H66N2/c1-9-17-18-19-23-39-49(45(16-8)33-24-28-41(11-3)12-4)40-26-30-43(15-7)44-35-37-48(38-36-44)50(47-31-21-20-22-32-47)46(27-10-2)34-25-29-42(13-5)14-6/h10,15-27,30-38,41-42H,2,9,11-14,28-29,39-40H2,1,3-8H3/b18-17-,23-19-,30-26-,33-24-,34-25-,43-15+,45-16+,46-27+
InChIKeyZVZLVSOWMXZDAN-DKJVRBFFSA-N
XLogP14.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.07
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline with MolForge

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Related Compounds

4-[(3E,5E)-6-(N-methylanilino)hepta-1,3,5-trien-3-yl]-N-phenyl-N-[(3E,5Z)-7-phenylhepta-1,3,5-trien-4-yl]aniline
CID 89028101
N-[(3E,5Z,7E)-nona-1,3,5,7-tetraen-5-yl]-N-phenylaniline
CID 59889814
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
CID 89078708
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
N-buta-1,3-dien-2-yl-4-[(3E)-penta-1,3-dien-3-yl]-N-phenylaniline
CID 143865263
4-[4-(N-[(3E)-hexa-1,3,5-trien-3-yl]anilino)phenyl]-N,N-diphenylaniline
CID 144794332
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline?
The IUPAC name of N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline (CID 143498674) is N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline.
What is the SMILES notation for N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline?
The canonical SMILES for N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline is C=C/C=C(\C=C/CC(CC)CC)N(c1ccccc1)c1ccc(C(/C=C\CN(C/C=C\C=C/CC)C(/C=C\CC(CC)CC)=C/C)=C/C)cc1.
What is the InChIKey of N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline?
The InChIKey is ZVZLVSOWMXZDAN-DKJVRBFFSA-N. The full InChI is InChI=1S/C48H66N2/c1-9-17-18-19-23-39-49(45(16-8)33-24-28-41(11-3)12-4)40-26-30-43(15-7)44-35-37-48(38-36-44)50(47-31-21-20-22-32-47)46(27-10-2)34-25-29-42(13-5)14-6/h10,15-27,30-38,41-42H,2,9,11-14,28-29,39-40H2,1,3-8H3/b18-17-,23-19-,30-26-,33-24-,34-25-,43-15+,45-16+,46-27+.
What are the key properties of N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline?
N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline has a molecular weight of 671.07 g/mol, XLogP of 14.35, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-8-ethyldeca-1,3,5-trien-4-yl]-4-[(2E,4Z)-6-[[(2E,4Z)-7-ethylnona-2,4-dien-3-yl]-[(2Z,4Z)-hepta-2,4-dienyl]amino]hexa-2,4-dien-3-yl]-N-phenylaniline is sourced from PubChem (CID 143498674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).