ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium

C92H94N6+2 — CID 163511002

About ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium

ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium (PubChem CID 163511002) has the molecular formula C92H94N6+2 and a molecular weight of 1283.81 g/mol. Its IUPAC name is ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium.

Molecular Properties

• Compound Name: ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium
• PubChem CID: 163511002
• Molecular Formula: C92H94N6+2
• Molecular Weight: 1283.81 g/mol
• Exact Mass: 1282.75
• IUPAC Name: ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium
• SMILES: CCN(c1ccc(C(=C2C=CC(=[N+](CC)c3ccccc3C)C=C2)c2ccc(NCCC3C4CCC3C(CNc3ccc(C(=C5C=CC(=[N+](CC)c6ccccc6C)C=C5)c5ccc(N(CC)c6ccccc6C)cc5)c5ccccc35)C4)c3ccccc23)cc1)c1ccccc1C
• InChI: InChI=1S/C92H92N6/c1-9-95(87-33-21-13-25-63(87)5)73-46-37-67(38-47-73)91(68-39-48-74(49-40-68)96(10-2)88-34-22-14-26-64(88)6)83-55-57-85(81-31-19-17-29-79(81)83)93-60-59-78-71-45-54-77(78)72(61-71)62-94-86-58-56-84(80-30-18-20-32-82(80)86)92(69-41-50-75(51-42-69)97(11-3)89-35-23-15-27-65(89)7)70-43-52-76(53-44-70)98(12-4)90-36-24-16-28-66(90)8/h13-44,46-53,55-58,71-72,77-78H,9-12,45,54,59-62H2,1-8H3/p+2
• InChIKey: DCRFONQDSWZMBV-UHFFFAOYSA-P
• XLogP: 22.59
• TPSA: 36.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 21
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1283.81
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium?

The IUPAC name of ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium (CID 163511002) is ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium.

What is the SMILES notation for ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium?

The canonical SMILES for ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium is CCN(c1ccc(C(=C2C=CC(=[N+](CC)c3ccccc3C)C=C2)c2ccc(NCCC3C4CCC3C(CNc3ccc(C(=C5C=CC(=[N+](CC)c6ccccc6C)C=C5)c5ccc(N(CC)c6ccccc6C)cc5)c5ccccc35)C4)c3ccccc23)cc1)c1ccccc1C.

What is the InChIKey of ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium?

The InChIKey is DCRFONQDSWZMBV-UHFFFAOYSA-P. The full InChI is InChI=1S/C92H92N6/c1-9-95(87-33-21-13-25-63(87)5)73-46-37-67(38-47-73)91(68-39-48-74(49-40-68)96(10-2)88-34-22-14-26-64(88)6)83-55-57-85(81-31-19-17-29-79(81)83)93-60-59-78-71-45-54-77(78)72(61-71)62-94-86-58-56-84(80-30-18-20-32-82(80)86)92(69-41-50-75(51-42-69)97(11-3)89-35-23-15-27-65(89)7)70-43-52-76(53-44-70)98(12-4)90-36-24-16-28-66(90)8/h13-44,46-53,55-58,71-72,77-78H,9-12,45,54,59-62H2,1-8H3/p+2.

What are the key properties of ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium?

ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium has a molecular weight of 1283.81 g/mol, XLogP of 22.59, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl-[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[[7-[2-[[4-[[4-(N-ethyl-2-methylanilino)phenyl]-[4-[ethyl-(2-methylphenyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]naphthalen-1-yl]amino]ethyl]-2-bicyclo[2.2.1]heptanyl]methylamino]naphthalen-1-yl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-methylphenyl)azanium is sourced from PubChem (CID 163511002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).