[2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol

C88H97N3O3 — CID 118642821

About [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol

[2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol (PubChem CID 118642821) has the molecular formula C88H97N3O3 and a molecular weight of 1244.76 g/mol. Its IUPAC name is [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol.

Molecular Properties

• Compound Name: [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol
• PubChem CID: 118642821
• Molecular Formula: C88H97N3O3
• Molecular Weight: 1244.76 g/mol
• Exact Mass: 1243.75
• IUPAC Name: [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol
• SMILES: COc1c(C2CCCCC2)cc(C(CC(C)c2cc(C3CCCCC3)c(CO)c(C(=CNc3ccccc3)c3ccccc3)c2C)c2cc(C3CCCCC3)c(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2C)c(C)c1C(CNc1ccccc1)c1ccccc1
• InChI: InChI=1S/C88H97N3O3/c1-60(73-52-76(64-33-15-6-16-34-64)83(58-92)85(61(73)2)80(67-39-21-9-22-40-67)55-89-70-45-27-12-28-46-70)51-79(74-53-77(65-35-17-7-18-36-65)84(59-93)86(62(74)3)81(68-41-23-10-24-42-68)56-90-71-47-29-13-30-48-71)75-54-78(66-37-19-8-20-38-66)88(94-5)87(63(75)4)82(69-43-25-11-26-44-69)57-91-72-49-31-14-32-50-72/h9-14,21-32,39-50,52-55,60,64-66,79,82,89,91-93H,6-8,15-20,33-38,51,57-59H2,1-5H3
• InChIKey: NHUWVYBUYPSWSB-UHFFFAOYSA-N
• XLogP: 22.25
• TPSA: 86.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.76
LogP ≤ 5	22.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol?

The IUPAC name of [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol (CID 118642821) is [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol.

What is the SMILES notation for [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol?

The canonical SMILES for [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol is COc1c(C2CCCCC2)cc(C(CC(C)c2cc(C3CCCCC3)c(CO)c(C(=CNc3ccccc3)c3ccccc3)c2C)c2cc(C3CCCCC3)c(CO)c(C(=C=Nc3ccccc3)c3ccccc3)c2C)c(C)c1C(CNc1ccccc1)c1ccccc1.

What is the InChIKey of [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol?

The InChIKey is NHUWVYBUYPSWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H97N3O3/c1-60(73-52-76(64-33-15-6-16-34-64)83(58-92)85(61(73)2)80(67-39-21-9-22-40-67)55-89-70-45-27-12-28-46-70)51-79(74-53-77(65-35-17-7-18-36-65)84(59-93)86(62(74)3)81(68-41-23-10-24-42-68)56-90-71-47-29-13-30-48-71)75-54-78(66-37-19-8-20-38-66)88(94-5)87(63(75)4)82(69-43-25-11-26-44-69)57-91-72-49-31-14-32-50-72/h9-14,21-32,39-50,52-55,60,64-66,79,82,89,91-93H,6-8,15-20,33-38,51,57-59H2,1-5H3.

What are the key properties of [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol?

[2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol has a molecular weight of 1244.76 g/mol, XLogP of 22.25, 23 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-anilino-1-phenylethenyl)-4-[4-[3-(2-anilino-1-phenylethyl)-5-cyclohexyl-4-methoxy-2-methylphenyl]-4-[5-cyclohexyl-4-(hydroxymethyl)-2-methyl-3-(1-phenyl-2-phenyliminoethenyl)phenyl]butan-2-yl]-6-cyclohexyl-3-methylphenyl]methanol is sourced from PubChem (CID 118642821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).