ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline

C65H118N2 — CID 144687212

IUPACethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
SMILESC=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccc(-c2ccc(-c3ccc(N(/C(C=C)=C/CC)C(/C=C\C)=C/C)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C41H46N2.12C2H6/c1-9-15-19-33(8)42(32(7)16-10-2)40-28-24-36(25-29-40)34-20-22-35(23-21-34)37-26-30-41(31-27-37)43(38(13-5)17-11-3)39(14-6)18-12-4;12*1-2/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3;12*1-2H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+;;;;;;;;;;;;
InChIKeyIDIJPIALODCUPK-XZIRYCCASA-N
MW927.67 g/mol
LogP24.48
Rot. Bonds13

About ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline

ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline (PubChem CID 144687212) has the molecular formula C65H118N2 and a molecular weight of 927.67 g/mol. Its IUPAC name is ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline.

Molecular Properties

Compound Nameethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
PubChem CID144687212
Molecular FormulaC65H118N2
Molecular Weight927.67 g/mol
Exact Mass926.93
IUPAC Nameethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
SMILESC=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccc(-c2ccc(-c3ccc(N(/C(C=C)=C/CC)C(/C=C\C)=C/C)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C41H46N2.12C2H6/c1-9-15-19-33(8)42(32(7)16-10-2)40-28-24-36(25-29-40)34-20-22-35(23-21-34)37-26-30-41(31-27-37)43(38(13-5)17-11-3)39(14-6)18-12-4;12*1-2/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3;12*1-2H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+;;;;;;;;;;;;
InChIKeyIDIJPIALODCUPK-XZIRYCCASA-N
XLogP24.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500927.67
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline?
The IUPAC name of ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline (CID 144687212) is ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline.
What is the SMILES notation for ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline?
The canonical SMILES for ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline is C=C/C=C(\C)N(/C(C)=C/C=C\C)c1ccc(-c2ccc(-c3ccc(N(/C(C=C)=C/CC)C(/C=C\C)=C/C)cc3)cc2)cc1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline?
The InChIKey is IDIJPIALODCUPK-XZIRYCCASA-N. The full InChI is InChI=1S/C41H46N2.12C2H6/c1-9-15-19-33(8)42(32(7)16-10-2)40-28-24-36(25-29-40)34-20-22-35(23-21-34)37-26-30-41(31-27-37)43(38(13-5)17-11-3)39(14-6)18-12-4;12*1-2/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3;12*1-2H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+;;;;;;;;;;;;.
What are the key properties of ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline?
ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline has a molecular weight of 927.67 g/mol, XLogP of 24.48, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline is sourced from PubChem (CID 144687212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).