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

C41H46N2 — CID 144687213

IUPACN-[(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
InChIInChI=1S/C41H46N2/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/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+
InChIKeyAKOGOWANNHJDLK-AOBLGYCYSA-N
MW566.83 g/mol
LogP12.16
Rot. Bonds13

About 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

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 144687213) has the molecular formula C41H46N2 and a molecular weight of 566.83 g/mol. Its IUPAC name is 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 NameN-[(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 CID144687213
Molecular FormulaC41H46N2
Molecular Weight566.83 g/mol
Exact Mass566.37
IUPAC NameN-[(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
InChIInChI=1S/C41H46N2/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/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+
InChIKeyAKOGOWANNHJDLK-AOBLGYCYSA-N
XLogP12.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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 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 144687213) is 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 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 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.
What is the InChIKey of 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 AKOGOWANNHJDLK-AOBLGYCYSA-N. The full InChI is InChI=1S/C41H46N2/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/h9-10,12-31H,2,5,11H2,1,3-4,6-8H3/b15-9-,18-12-,32-16+,33-19+,38-17+,39-14+.
What are the key properties of 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?
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 566.83 g/mol, XLogP of 12.16, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 144687213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).