4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline

C56H49N — CID 59518329

IUPAC4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
SMILESCCCCCCc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc(/C=C/c3c4ccccc4c(/C=C/c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H49N/c1-2-3-4-7-20-45-27-35-48(36-28-45)57(49-37-29-46(30-38-49)26-25-43-16-8-5-9-17-43)50-39-31-47(32-40-50)34-42-56-53-23-14-12-21-51(53)55(52-22-13-15-24-54(52)56)41-33-44-18-10-6-11-19-44/h5-6,8-19,21-42H,2-4,7,20H2,1H3/b26-25+,41-33+,42-34+
InChIKeyWVSIWWYCNUHKLH-GWOHFUQRSA-N
MW736.02 g/mol
LogP16.10
Rot. Bonds14

About 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline

4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline (PubChem CID 59518329) has the molecular formula C56H49N and a molecular weight of 736.02 g/mol. Its IUPAC name is 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
PubChem CID59518329
Molecular FormulaC56H49N
Molecular Weight736.02 g/mol
Exact Mass735.39
IUPAC Name4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
SMILESCCCCCCc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc(/C=C/c3c4ccccc4c(/C=C/c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C56H49N/c1-2-3-4-7-20-45-27-35-48(36-28-45)57(49-37-29-46(30-38-49)26-25-43-16-8-5-9-17-43)50-39-31-47(32-40-50)34-42-56-53-23-14-12-21-51(53)55(52-22-13-15-24-54(52)56)41-33-44-18-10-6-11-19-44/h5-6,8-19,21-42H,2-4,7,20H2,1H3/b26-25+,41-33+,42-34+
InChIKeyWVSIWWYCNUHKLH-GWOHFUQRSA-N
XLogP16.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.02
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline with MolForge

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Related Compounds

4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144
4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
CID 130356199
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
4-[2-(4-hexylphenyl)ethenyl]-N-[4-[2-(4-hexylphenyl)ethenyl]phenyl]-N-methylaniline
CID 72543298
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 118901482
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline?
The IUPAC name of 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline (CID 59518329) is 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline.
What is the SMILES notation for 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline?
The canonical SMILES for 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline is CCCCCCc1ccc(N(c2ccc(/C=C/c3ccccc3)cc2)c2ccc(/C=C/c3c4ccccc4c(/C=C/c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline?
The InChIKey is WVSIWWYCNUHKLH-GWOHFUQRSA-N. The full InChI is InChI=1S/C56H49N/c1-2-3-4-7-20-45-27-35-48(36-28-45)57(49-37-29-46(30-38-49)26-25-43-16-8-5-9-17-43)50-39-31-47(32-40-50)34-42-56-53-23-14-12-21-51(53)55(52-22-13-15-24-54(52)56)41-33-44-18-10-6-11-19-44/h5-6,8-19,21-42H,2-4,7,20H2,1H3/b26-25+,41-33+,42-34+.
What are the key properties of 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline?
4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline has a molecular weight of 736.02 g/mol, XLogP of 16.10, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-[4-[(E)-2-[10-[(E)-2-phenylethenyl]anthracen-9-yl]ethenyl]phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]aniline is sourced from PubChem (CID 59518329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).