2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine

C48H64N6O7 — CID 67800215

About 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine

2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine (PubChem CID 67800215) has the molecular formula C48H64N6O7 and a molecular weight of 837.08 g/mol. Its IUPAC name is 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine.

Molecular Properties

• Compound Name: 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine
• PubChem CID: 67800215
• Molecular Formula: C48H64N6O7
• Molecular Weight: 837.08 g/mol
• Exact Mass: 836.48
• IUPAC Name: 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine
• SMILES: Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOCC(OC(COCCC1(C)CCc3c(C)c(O)c(C)c(C)c3O1)c1ccc(N=C(N)N)cc1)c1ccc(N=C(N)N)cc1)O2
• InChI: InChI=1S/C48H64N6O7/c1-27-29(3)43-37(31(5)41(27)55)17-19-47(7,60-43)21-23-57-25-39(33-9-13-35(14-10-33)53-45(49)50)59-40(34-11-15-36(16-12-34)54-46(51)52)26-58-24-22-48(8)20-18-38-32(6)42(56)28(2)30(4)44(38)61-48/h9-16,39-40,55-56H,17-26H2,1-8H3,(H4,49,50,53)(H4,51,52,54)
• InChIKey: GHCRBWRAYNDJMZ-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 215.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	837.08
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine?

The IUPAC name of 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine (CID 67800215) is 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine.

What is the SMILES notation for 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine?

The canonical SMILES for 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine is Cc1c(C)c2c(c(C)c1O)CCC(C)(CCOCC(OC(COCCC1(C)CCc3c(C)c(O)c(C)c(C)c3O1)c1ccc(N=C(N)N)cc1)c1ccc(N=C(N)N)cc1)O2.

What is the InChIKey of 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine?

The InChIKey is GHCRBWRAYNDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H64N6O7/c1-27-29(3)43-37(31(5)41(27)55)17-19-47(7,60-43)21-23-57-25-39(33-9-13-35(14-10-33)53-45(49)50)59-40(34-11-15-36(16-12-34)54-46(51)52)26-58-24-22-48(8)20-18-38-32(6)42(56)28(2)30(4)44(38)61-48/h9-16,39-40,55-56H,17-26H2,1-8H3,(H4,49,50,53)(H4,51,52,54).

What are the key properties of 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine?

2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine has a molecular weight of 837.08 g/mol, XLogP of 7.94, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[1-[4-(diaminomethylideneamino)phenyl]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethoxy]-2-[2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethoxy]ethyl]phenyl]guanidine is sourced from PubChem (CID 67800215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).