7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

C70H74N2O6 — CID 101476385

About 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone

7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (PubChem CID 101476385) has the molecular formula C70H74N2O6 and a molecular weight of 1039.37 g/mol. Its IUPAC name is 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• PubChem CID: 101476385
• Molecular Formula: C70H74N2O6
• Molecular Weight: 1039.37 g/mol
• Exact Mass: 1038.55
• IUPAC Name: 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
• SMILES: CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6cc(OC)ccc6c5)cc5c6c(ccc(c7c(-c8ccc9cc(OC)ccc9c8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O
• InChI: InChI=1S/C70H74N2O6/c1-5-7-9-11-13-15-17-19-21-23-37-71-67(73)55-35-33-53-62-58(50-28-26-48-42-52(78-4)32-30-46(48)40-50)44-60-64-56(68(74)72(70(60)76)38-24-22-20-18-16-14-12-10-8-6-2)36-34-54(66(62)64)61-57(43-59(69(71)75)63(55)65(53)61)49-27-25-47-41-51(77-3)31-29-45(47)39-49/h25-36,39-44H,5-24,37-38H2,1-4H3
• InChIKey: BGLFFKQHNPZRKP-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 93.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.37
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The IUPAC name of 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone (CID 101476385) is 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is CCCCCCCCCCCCN1C(=O)c2ccc3c4c(-c5ccc6cc(OC)ccc6c5)cc5c6c(ccc(c7c(-c8ccc9cc(OC)ccc9c8)cc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCC)C5=O.

What is the InChIKey of 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

The InChIKey is BGLFFKQHNPZRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H74N2O6/c1-5-7-9-11-13-15-17-19-21-23-37-71-67(73)55-35-33-53-62-58(50-28-26-48-42-52(78-4)32-30-46(48)40-50)44-60-64-56(68(74)72(70(60)76)38-24-22-20-18-16-14-12-10-8-6-2)36-34-54(66(62)64)61-57(43-59(69(71)75)63(55)65(53)61)49-27-25-47-41-51(77-3)31-29-45(47)39-49/h25-36,39-44H,5-24,37-38H2,1-4H3.

What are the key properties of 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone?

7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone has a molecular weight of 1039.37 g/mol, XLogP of 18.43, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-didodecyl-11,22-bis(6-methoxynaphthalen-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 101476385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).