N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline

C52H52N2 — CID 146266468

IUPACN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline
SMILESC/C=C(\C=C/CN(C1=CCCC=C1)C1=CC=CCC1)/C=C/c1ccc(-c2ccc(/C=C/c3ccc(N(C4=CCCC=C4)C4=CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C52H52N2/c1-2-42(16-15-41-53(48-17-7-3-8-18-48)49-19-9-4-10-20-49)25-26-43-29-35-46(36-30-43)47-37-31-44(32-38-47)27-28-45-33-39-52(40-34-45)54(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h2-3,5,7,9,11,13,15-17,19-21,23-40H,4,6,8,10,12,14,18,22,41H2,1H3/b16-15-,26-25+,28-27+,42-2+
InChIKeyNBIBQHOLXDJTAC-AYWDLQLQSA-N
MW705.00 g/mol
LogP14.08
Rot. Bonds13

About N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline (PubChem CID 146266468) has the molecular formula C52H52N2 and a molecular weight of 705.00 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline
PubChem CID146266468
Molecular FormulaC52H52N2
Molecular Weight705.00 g/mol
Exact Mass704.41
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline
SMILESC/C=C(\C=C/CN(C1=CCCC=C1)C1=CC=CCC1)/C=C/c1ccc(-c2ccc(/C=C/c3ccc(N(C4=CCCC=C4)C4=CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C52H52N2/c1-2-42(16-15-41-53(48-17-7-3-8-18-48)49-19-9-4-10-20-49)25-26-43-29-35-46(36-30-43)47-37-31-44(32-38-47)27-28-45-33-39-52(40-34-45)54(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h2-3,5,7,9,11,13,15-17,19-21,23-40H,4,6,8,10,12,14,18,22,41H2,1H3/b16-15-,26-25+,28-27+,42-2+
InChIKeyNBIBQHOLXDJTAC-AYWDLQLQSA-N
XLogP14.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.00
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-prop-1-enyl]aniline
CID 139364225
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
4-[2-[4-[4-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)phenyl]ethenyl]phenyl]phenyl]propyl]-N,N-diphenylaniline
CID 123591975
N-cyclohexa-1,3-dien-1-yl-N-(cyclohexen-1-yl)cyclohexa-1,5-dien-1-amine
CID 163857292
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
CID 90760439
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]aniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[4-(N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline;4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline;1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 158041977
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-1,5-dien-1-yl-N-(4-methylcyclohexa-1,3-dien-1-yl)aniline
CID 71051952
N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 90939241
N-cyclohexa-1,5-dien-1-yl-N-(cyclohexen-1-yl)-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 131995472
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol
CID 145167136

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline (CID 146266468) is N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline is C/C=C(\C=C/CN(C1=CCCC=C1)C1=CC=CCC1)/C=C/c1ccc(-c2ccc(/C=C/c3ccc(N(C4=CCCC=C4)C4=CC=CCC4)cc3)cc2)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline?
The InChIKey is NBIBQHOLXDJTAC-AYWDLQLQSA-N. The full InChI is InChI=1S/C52H52N2/c1-2-42(16-15-41-53(48-17-7-3-8-18-48)49-19-9-4-10-20-49)25-26-43-29-35-46(36-30-43)47-37-31-44(32-38-47)27-28-45-33-39-52(40-34-45)54(50-21-11-5-12-22-50)51-23-13-6-14-24-51/h2-3,5,7,9,11,13,15-17,19-21,23-40H,4,6,8,10,12,14,18,22,41H2,1H3/b16-15-,26-25+,28-27+,42-2+.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline?
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline has a molecular weight of 705.00 g/mol, XLogP of 14.08, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-2-[4-[4-[(1E,3Z,4Z)-6-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3-ethylidenehexa-1,4-dienyl]phenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 146266468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).