4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline

C60H63N — CID 59838926

IUPAC4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
SMILESC(=C/c1ccc(N(c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)cc1)\c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C60H63N/c1-4-10-52(11-5-1)55-34-22-46(23-35-55)16-19-49-28-40-58(41-29-49)61(59-42-30-50(31-43-59)20-17-47-24-36-56(37-25-47)53-12-6-2-7-13-53)60-44-32-51(33-45-60)21-18-48-26-38-57(39-27-48)54-14-8-3-9-15-54/h16-45,52-54H,1-15H2/b19-16+,20-17+,21-18+
InChIKeyXONPSQNUELHWHA-VNQRMFGESA-N
MW798.17 g/mol
LogP17.81
Rot. Bonds12

About 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline

4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline (PubChem CID 59838926) has the molecular formula C60H63N and a molecular weight of 798.17 g/mol. Its IUPAC name is 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
PubChem CID59838926
Molecular FormulaC60H63N
Molecular Weight798.17 g/mol
Exact Mass797.50
IUPAC Name4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline
SMILESC(=C/c1ccc(N(c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)cc1)\c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C60H63N/c1-4-10-52(11-5-1)55-34-22-46(23-35-55)16-19-49-28-40-58(41-29-49)61(59-42-30-50(31-43-59)20-17-47-24-36-56(37-25-47)53-12-6-2-7-13-53)60-44-32-51(33-45-60)21-18-48-26-38-57(39-27-48)54-14-8-3-9-15-54/h16-45,52-54H,1-15H2/b19-16+,20-17+,21-18+
InChIKeyXONPSQNUELHWHA-VNQRMFGESA-N
XLogP17.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.17
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-[4-(4-cyclopentylphenyl)buta-1,3-dienyl]benzene
CID 173393354
1-N-cyclohexyl-1-N-[4-(2-cyclohexylethenyl)phenyl]-4-N-phenyl-4-N-[4-(N-[4-[4-(N-phenylanilino)phenyl]cyclohexyl]anilino)phenyl]benzene-1,4-diamine
CID 89264560
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
4-cyclooctylbenzaldehyde
CID 12923818
1-cyclohexyl-4-ethenylbenzene
CID 21225537
4-cycloheptylbenzaldehyde
CID 21484445
(4-ethenylphenyl)cyclooctane
CID 19849973
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
(E)-4-(4-cyclohexylphenyl)but-3-en-2-one
CID 124662300
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
3-chloro-N-(4-cyclohexylphenyl)-N-phenylaniline
CID 177098600
6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032183

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline?
The IUPAC name of 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline (CID 59838926) is 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline.
What is the SMILES notation for 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline?
The canonical SMILES for 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline is C(=C/c1ccc(N(c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)c2ccc(/C=C/c3ccc(C4CCCCC4)cc3)cc2)cc1)\c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline?
The InChIKey is XONPSQNUELHWHA-VNQRMFGESA-N. The full InChI is InChI=1S/C60H63N/c1-4-10-52(11-5-1)55-34-22-46(23-35-55)16-19-49-28-40-58(41-29-49)61(59-42-30-50(31-43-59)20-17-47-24-36-56(37-25-47)53-12-6-2-7-13-53)60-44-32-51(33-45-60)21-18-48-26-38-57(39-27-48)54-14-8-3-9-15-54/h16-45,52-54H,1-15H2/b19-16+,20-17+,21-18+.
What are the key properties of 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline?
4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline has a molecular weight of 798.17 g/mol, XLogP of 17.81, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-cyclohexylphenyl)ethenyl]-N,N-bis[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]aniline is sourced from PubChem (CID 59838926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).