2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile

C30H32N4O — CID 175444911

About 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile

2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile (PubChem CID 175444911) has the molecular formula C30H32N4O and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile.

Molecular Properties

• Compound Name: 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
• PubChem CID: 175444911
• Molecular Formula: C30H32N4O
• Molecular Weight: 464.61 g/mol
• Exact Mass: 464.26
• IUPAC Name: 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
• SMILES: CCN(CC)c1ccc(/C=N/c2ccc(/C=C/C3=CCC(C)(C)CC3=C(C#N)C#N)cc2)c(O)c1
• InChI: InChI=1S/C30H32N4O/c1-5-34(6-2)27-14-11-24(29(35)17-27)21-33-26-12-8-22(9-13-26)7-10-23-15-16-30(3,4)18-28(23)25(19-31)20-32/h7-15,17,21,35H,5-6,16,18H2,1-4H3/b10-7+,33-21+
• InChIKey: FNENDMQKCMBFQB-OXSXZCLISA-N
• XLogP: 7.09
• TPSA: 83.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.61
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?

The IUPAC name of 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile (CID 175444911) is 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile.

What is the SMILES notation for 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?

The canonical SMILES for 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile is CCN(CC)c1ccc(/C=N/c2ccc(/C=C/C3=CCC(C)(C)CC3=C(C#N)C#N)cc2)c(O)c1.

What is the InChIKey of 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?

The InChIKey is FNENDMQKCMBFQB-OXSXZCLISA-N. The full InChI is InChI=1S/C30H32N4O/c1-5-34(6-2)27-14-11-24(29(35)17-27)21-33-26-12-8-22(9-13-26)7-10-23-15-16-30(3,4)18-28(23)25(19-31)20-32/h7-15,17,21,35H,5-6,16,18H2,1-4H3/b10-7+,33-21+.

What are the key properties of 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile?

2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile has a molecular weight of 464.61 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(E)-2-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile is sourced from PubChem (CID 175444911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).