6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile

C26H25NO2 — CID 101266071

IUPAC6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
SMILESCOc1ccc(C(=C(CCCC#N)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-28-23-15-11-21(12-16-23)26(22-13-17-24(29-2)18-14-22)25(10-6-7-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-18H,6-7,10H2,1-2H3
InChIKeyCUSAKSVKGQOXIZ-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.36
Rot. Bonds8

About 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile

6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile (PubChem CID 101266071) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile.

Molecular Properties

Compound Name6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
PubChem CID101266071
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile
SMILESCOc1ccc(C(=C(CCCC#N)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25NO2/c1-28-23-15-11-21(12-16-23)26(22-13-17-24(29-2)18-14-22)25(10-6-7-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-18H,6-7,10H2,1-2H3
InChIKeyCUSAKSVKGQOXIZ-UHFFFAOYSA-N
XLogP6.36
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5,5-tris(4-methoxyphenyl)pent-4-enenitrile
CID 10340893
(Z)-7-(4-methoxyphenyl)-1,6,7-triphenylhept-6-ene-2-thione
CID 158143687
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-(111C)methoxy-4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylhex-1-enyl]benzene
CID 46934876
1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
1-(4-methoxyphenyl)-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]thiourea
CID 118887605
N'-benzyl-N-[4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]oxamide
CID 130276115
1-benzyl-3-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]urea
CID 118873032
N-[(Z)-4-(4-methoxyphenyl)-3,4-diphenylbut-3-enyl]pyrrolidine-1-carbothioamide
CID 118887746
[3-methoxy-5-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]boronic acid
CID 164810567
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile?
The IUPAC name of 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile (CID 101266071) is 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile.
What is the SMILES notation for 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile?
The canonical SMILES for 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile is COc1ccc(C(=C(CCCC#N)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile?
The InChIKey is CUSAKSVKGQOXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-28-23-15-11-21(12-16-23)26(22-13-17-24(29-2)18-14-22)25(10-6-7-19-27)20-8-4-3-5-9-20/h3-5,8-9,11-18H,6-7,10H2,1-2H3.
What are the key properties of 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile?
6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile has a molecular weight of 383.49 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(4-methoxyphenyl)-5-phenylhex-5-enenitrile is sourced from PubChem (CID 101266071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).