(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine

C56H51N3 — CID 144596148

IUPAC(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine
SMILESC=C/C=C(\C=C/c1ccccc1)N(C(/C=C\c1ccc2ccccc2c1)=C/C=C/NC(/C=C\C)=C/C)c1ccc(/C=C\C=C/C=C/Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H51N3/c1-4-19-52(6-3)57-42-18-28-55(40-33-47-29-34-48-24-13-15-26-50(48)43-47)59(54(20-5-2)37-30-45-21-11-9-12-22-45)56-38-31-46(32-39-56)23-10-7-8-17-41-58-53-36-35-49-25-14-16-27-51(49)44-53/h4-44,57-58H,2H2,1,3H3/b8-7-,19-4-,23-10-,37-30-,40-33-,41-17+,42-18+,52-6+,54-20+,55-28+
InChIKeyNADPGKTWZAFXNQ-KDOONJCGSA-N
MW766.05 g/mol
LogP14.96
Rot. Bonds17

About (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine

(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine (PubChem CID 144596148) has the molecular formula C56H51N3 and a molecular weight of 766.05 g/mol. Its IUPAC name is (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine.

Molecular Properties

Compound Name(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine
PubChem CID144596148
Molecular FormulaC56H51N3
Molecular Weight766.05 g/mol
Exact Mass765.41
IUPAC Name(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine
SMILESC=C/C=C(\C=C/c1ccccc1)N(C(/C=C\c1ccc2ccccc2c1)=C/C=C/NC(/C=C\C)=C/C)c1ccc(/C=C\C=C/C=C/Nc2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H51N3/c1-4-19-52(6-3)57-42-18-28-55(40-33-47-29-34-48-24-13-15-26-50(48)43-47)59(54(20-5-2)37-30-45-21-11-9-12-22-45)56-38-31-46(32-39-56)23-10-7-8-17-41-58-53-36-35-49-25-14-16-27-51(49)44-53/h4-44,57-58H,2H2,1,3H3/b8-7-,19-4-,23-10-,37-30-,40-33-,41-17+,42-18+,52-6+,54-20+,55-28+
InChIKeyNADPGKTWZAFXNQ-KDOONJCGSA-N
XLogP14.96
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.05
LogP ≤ 514.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-(6-phenylhexa-1,3,5-trienyl)naphthalene
CID 2818391
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]naphthalen-2-amine
CID 145073167
N-[(1E,3E,5Z)-6-(4-naphthalen-2-ylphenyl)-4-[4-[9-[(1Z,3Z)-penta-1,3-dienyl]phenanthren-4-yl]phenyl]hexa-1,3,5-trienyl]-4-phenylaniline
CID 153357579
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]naphthalen-2-amine
CID 145442455
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
(E)-but-2-enoic acid;hexa-1,3,5-trienylbenzene
CID 88655191
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-[(1E,3Z,5Z)-6-[7-bromo-9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]carbazol-2-yl]hexa-1,3,5-trienyl]dibenzothiophen-2-amine;(Z)-but-2-ene
CID 145077478
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
(3E,5E)-N-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenylhexa-3,5-dien-3-amine
CID 170002773
N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline
CID 89342874

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine?
The IUPAC name of (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine (CID 144596148) is (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine.
What is the SMILES notation for (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine?
The canonical SMILES for (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine is C=C/C=C(\C=C/c1ccccc1)N(C(/C=C\c1ccc2ccccc2c1)=C/C=C/NC(/C=C\C)=C/C)c1ccc(/C=C\C=C/C=C/Nc2ccc3ccccc3c2)cc1.
What is the InChIKey of (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine?
The InChIKey is NADPGKTWZAFXNQ-KDOONJCGSA-N. The full InChI is InChI=1S/C56H51N3/c1-4-19-52(6-3)57-42-18-28-55(40-33-47-29-34-48-24-13-15-26-50(48)43-47)59(54(20-5-2)37-30-45-21-11-9-12-22-45)56-38-31-46(32-39-56)23-10-7-8-17-41-58-53-36-35-49-25-14-16-27-51(49)44-53/h4-44,57-58H,2H2,1,3H3/b8-7-,19-4-,23-10-,37-30-,40-33-,41-17+,42-18+,52-6+,54-20+,55-28+.
What are the key properties of (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine?
(1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine has a molecular weight of 766.05 g/mol, XLogP of 14.96, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z)-1-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-naphthalen-2-yl-4-N-[4-[(1Z,3Z,5E)-6-(naphthalen-2-ylamino)hexa-1,3,5-trienyl]phenyl]-4-N-[(1Z,3E)-1-phenylhexa-1,3,5-trien-3-yl]hexa-1,3,5-triene-1,4-diamine is sourced from PubChem (CID 144596148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).