2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate

C80H88N2O10 — CID 153444197

About 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate

2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate (PubChem CID 153444197) has the molecular formula C80H88N2O10 and a molecular weight of 1237.59 g/mol. Its IUPAC name is 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate.

Molecular Properties

• Compound Name: 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate
• PubChem CID: 153444197
• Molecular Formula: C80H88N2O10
• Molecular Weight: 1237.59 g/mol
• Exact Mass: 1236.64
• IUPAC Name: 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate
• SMILES: CCCCC(C)(C)OC(=O)OCCOCCOCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(COCCOCCOC(=O)OC(C)(C)CCCC)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C80H88N2O10/c1-7-9-49-79(3,4)91-77(83)89-57-55-85-51-53-87-59-61-21-37-71(38-22-61)81(73-41-29-67(30-42-73)63-17-13-11-14-18-63)75-45-33-69(34-46-75)65-25-27-66(28-26-65)70-35-47-76(48-36-70)82(74-43-31-68(32-44-74)64-19-15-12-16-20-64)72-39-23-62(24-40-72)60-88-54-52-86-56-58-90-78(84)92-80(5,6)50-10-8-2/h11-48H,7-10,49-60H2,1-6H3
• InChIKey: MRVZRXJSBCFWRC-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 114.46 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1237.59
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate?

The IUPAC name of 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate (CID 153444197) is 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate.

What is the SMILES notation for 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate?

The canonical SMILES for 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate is CCCCC(C)(C)OC(=O)OCCOCCOCc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(N(c5ccc(COCCOCCOC(=O)OC(C)(C)CCCC)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)cc1.

What is the InChIKey of 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate?

The InChIKey is MRVZRXJSBCFWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H88N2O10/c1-7-9-49-79(3,4)91-77(83)89-57-55-85-51-53-87-59-61-21-37-71(38-22-61)81(73-41-29-67(30-42-73)63-17-13-11-14-18-63)75-45-33-69(34-46-75)65-25-27-66(28-26-65)70-35-47-76(48-36-70)82(74-43-31-68(32-44-74)64-19-15-12-16-20-64)72-39-23-62(24-40-72)60-88-54-52-86-56-58-90-78(84)92-80(5,6)50-10-8-2/h11-48H,7-10,49-60H2,1-6H3.

What are the key properties of 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate?

2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate has a molecular weight of 1237.59 g/mol, XLogP of 20.60, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylhexan-2-yl 2-[2-[[4-(N-[4-[4-[4-[4-[2-[2-(2-methylhexan-2-yloxycarbonyloxy)ethoxy]ethoxymethyl]-N-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methoxy]ethoxy]ethyl carbonate is sourced from PubChem (CID 153444197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).