(2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium

C101H110N4+2 — CID 158844794

About (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium

(2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium (PubChem CID 158844794) has the molecular formula C101H110N4+2 and a molecular weight of 1380.02 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium.

Molecular Properties

• Compound Name: (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
• PubChem CID: 158844794
• Molecular Formula: C101H110N4+2
• Molecular Weight: 1380.02 g/mol
• Exact Mass: 1378.87
• IUPAC Name: (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
• SMILES: CCN(c1ccc(C(=C2C=CC(=[N+](CC)c3c(C)cccc3C)C=C2)c2ccc(CC3CCC(CC4CCC(Cc5ccc(C(=C6C=CC(=[N+](CC)c7c(C)cccc7C)C=C6)c6ccc(N(CC)c7c(C)cccc7C)cc6)c6ccccc56)CC4)CC3)c3ccccc23)cc1)c1c(C)cccc1C
• InChI: InChI=1S/C101H110N4/c1-13-102(98-68(5)25-21-26-69(98)6)86-55-45-80(46-56-86)96(81-47-57-87(58-48-81)103(14-2)99-70(7)27-22-28-71(99)8)94-63-53-84(90-33-17-19-35-92(90)94)66-78-41-37-76(38-42-78)65-77-39-43-79(44-40-77)67-85-54-64-95(93-36-20-18-34-91(85)93)97(82-49-59-88(60-50-82)104(15-3)100-72(9)29-23-30-73(100)10)83-51-61-89(62-52-83)105(16-4)101-74(11)31-24-32-75(101)12/h17-36,45-64,76-79H,13-16,37-44,65-67H2,1-12H3/q+2
• InChIKey: IYRMKSXRTDMWCU-UHFFFAOYSA-N
• XLogP: 26.03
• TPSA: 12.50 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1380.02
LogP ≤ 5	26.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium?

The IUPAC name of (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium (CID 158844794) is (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium.

What is the SMILES notation for (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium?

The canonical SMILES for (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium is CCN(c1ccc(C(=C2C=CC(=[N+](CC)c3c(C)cccc3C)C=C2)c2ccc(CC3CCC(CC4CCC(Cc5ccc(C(=C6C=CC(=[N+](CC)c7c(C)cccc7C)C=C6)c6ccc(N(CC)c7c(C)cccc7C)cc6)c6ccccc56)CC4)CC3)c3ccccc23)cc1)c1c(C)cccc1C.

What is the InChIKey of (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium?

The InChIKey is IYRMKSXRTDMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H110N4/c1-13-102(98-68(5)25-21-26-69(98)6)86-55-45-80(46-56-86)96(81-47-57-87(58-48-81)103(14-2)99-70(7)27-22-28-71(99)8)94-63-53-84(90-33-17-19-35-92(90)94)66-78-41-37-76(38-42-78)65-77-39-43-79(44-40-77)67-85-54-64-95(93-36-20-18-34-91(85)93)97(82-49-59-88(60-50-82)104(15-3)100-72(9)29-23-30-73(100)10)83-51-61-89(62-52-83)105(16-4)101-74(11)31-24-32-75(101)12/h17-36,45-64,76-79H,13-16,37-44,65-67H2,1-12H3/q+2.

What are the key properties of (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium?

(2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium has a molecular weight of 1380.02 g/mol, XLogP of 26.03, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylphenyl)-[4-[[4-[[4-[[4-[[4-[[4-[(2,6-dimethylphenyl)-ethylazaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methyl]naphthalen-1-yl]methyl]cyclohexyl]methyl]cyclohexyl]methyl]naphthalen-1-yl]-[4-(N-ethyl-2,6-dimethylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium is sourced from PubChem (CID 158844794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).