6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate

C80H98N6O6 — CID 157424787

About 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate

6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate (PubChem CID 157424787) has the molecular formula C80H98N6O6 and a molecular weight of 1239.70 g/mol. Its IUPAC name is 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

• Compound Name: 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate
• PubChem CID: 157424787
• Molecular Formula: C80H98N6O6
• Molecular Weight: 1239.70 g/mol
• Exact Mass: 1238.75
• IUPAC Name: 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate
• SMILES: C=CC(=O)OCCCCCCOc1ccc(CNc2ccc(/N=N/c3ccc(C(C)(C)C(C)(C)C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(CNc2ccc(/N=N/c3ccc(CCC(C)(C)C(C)(C)C)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C41H51N3O3.C39H47N3O3/c1-7-39(45)47-29-13-9-8-12-28-46-34-22-18-32(19-23-34)30-42-37-24-25-38(36-15-11-10-14-35(36)37)44-43-33-20-16-31(17-21-33)26-27-41(5,6)40(2,3)4;1-7-37(43)45-27-13-9-8-12-26-44-32-22-16-29(17-23-32)28-40-35-24-25-36(34-15-11-10-14-33(34)35)42-41-31-20-18-30(19-21-31)39(5,6)38(2,3)4/h7,10-11,14-25,42H,1,8-9,12-13,26-30H2,2-6H3;7,10-11,14-25,40H,1,8-9,12-13,26-28H2,2-6H3/b44-43+;42-41+
• InChIKey: BPVHMWVZLQXTPB-TWDIJLMQSA-N
• XLogP: 22.40
• TPSA: 144.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.70
LogP ≤ 5	22.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate?

The IUPAC name of 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate (CID 157424787) is 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate.

What is the SMILES notation for 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate?

The canonical SMILES for 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(CNc2ccc(/N=N/c3ccc(C(C)(C)C(C)(C)C)cc3)c3ccccc23)cc1.C=CC(=O)OCCCCCCOc1ccc(CNc2ccc(/N=N/c3ccc(CCC(C)(C)C(C)(C)C)cc3)c3ccccc23)cc1.

What is the InChIKey of 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate?

The InChIKey is BPVHMWVZLQXTPB-TWDIJLMQSA-N. The full InChI is InChI=1S/C41H51N3O3.C39H47N3O3/c1-7-39(45)47-29-13-9-8-12-28-46-34-22-18-32(19-23-34)30-42-37-24-25-38(36-15-11-10-14-35(36)37)44-43-33-20-16-31(17-21-33)26-27-41(5,6)40(2,3)4;1-7-37(43)45-27-13-9-8-12-26-44-32-22-16-29(17-23-32)28-40-35-24-25-36(34-15-11-10-14-33(34)35)42-41-31-20-18-30(19-21-31)39(5,6)38(2,3)4/h7,10-11,14-25,42H,1,8-9,12-13,26-30H2,2-6H3;7,10-11,14-25,40H,1,8-9,12-13,26-28H2,2-6H3/b44-43+;42-41+.

What are the key properties of 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate?

6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 1239.70 g/mol, XLogP of 22.40, 32 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 157424787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).