2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde

C64H76N4O12 — CID 158214732

About 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde

2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde (PubChem CID 158214732) has the molecular formula C64H76N4O12 and a molecular weight of 1093.33 g/mol. Its IUPAC name is 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde.

Molecular Properties

• Compound Name: 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde
• PubChem CID: 158214732
• Molecular Formula: C64H76N4O12
• Molecular Weight: 1093.33 g/mol
• Exact Mass: 1092.55
• IUPAC Name: 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde
• SMILES: CN(C)CCOc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1.COc1cc(C=O)c(N=O)cc1OC.COc1cc(COc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC
• InChI: InChI=1S/C32H38N2O6.C23H29NO2.C9H9NO4/c1-33(2)18-19-39-27-14-10-24(11-15-27)32(23-8-6-5-7-9-23)25-12-16-28(17-13-25)40-22-26-20-30(37-3)31(38-4)21-29(26)34(35)36;1-24(2)16-17-26-22-14-10-20(11-15-22)23(18-6-4-3-5-7-18)19-8-12-21(25)13-9-19;1-13-8-3-6(5-11)7(10-12)4-9(8)14-2/h10-17,20-21H,5-9,18-19,22H2,1-4H3;8-15,25H,3-7,16-17H2,1-2H3;3-5H,1-2H3
• InChIKey: GCMWIIKDLGGDRL-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 180.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.33
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde?

The IUPAC name of 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde (CID 158214732) is 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde.

What is the SMILES notation for 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde?

The canonical SMILES for 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde is CN(C)CCOc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1.COc1cc(C=O)c(N=O)cc1OC.COc1cc(COc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC.

What is the InChIKey of 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde?

The InChIKey is GCMWIIKDLGGDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O6.C23H29NO2.C9H9NO4/c1-33(2)18-19-39-27-14-10-24(11-15-27)32(23-8-6-5-7-9-23)25-12-16-28(17-13-25)40-22-26-20-30(37-3)31(38-4)21-29(26)34(35)36;1-24(2)16-17-26-22-14-10-20(11-15-22)23(18-6-4-3-5-7-18)19-8-12-21(25)13-9-19;1-13-8-3-6(5-11)7(10-12)4-9(8)14-2/h10-17,20-21H,5-9,18-19,22H2,1-4H3;8-15,25H,3-7,16-17H2,1-2H3;3-5H,1-2H3.

What are the key properties of 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde?

2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde has a molecular weight of 1093.33 g/mol, XLogP of 13.91, 22 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde is sourced from PubChem (CID 158214732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).