7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

C92H66N2O8 — CID 162477622

About 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (PubChem CID 162477622) has the molecular formula C92H66N2O8 and a molecular weight of 1327.55 g/mol. Its IUPAC name is 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• PubChem CID: 162477622
• Molecular Formula: C92H66N2O8
• Molecular Weight: 1327.55 g/mol
• Exact Mass: 1326.48
• IUPAC Name: 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone
• SMILES: O=C1c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1c(CCc2ccccc2)cccc1CCc1ccccc1)c64)C(=O)N(c1c(CCc2ccccc2)cccc1CCc1ccccc1)C5=O
• InChI: InChI=1S/C92H66N2O8/c95-89-71-55-75(99-67-39-17-5-18-40-67)81-83-77(101-69-43-21-7-22-44-69)57-73-80-74(92(98)94(91(73)97)88-65(53-49-61-31-13-3-14-32-61)37-26-38-66(88)54-50-62-33-15-4-16-34-62)58-78(102-70-45-23-8-24-46-70)84(86(80)83)82-76(100-68-41-19-6-20-42-68)56-72(79(71)85(81)82)90(96)93(89)87-63(51-47-59-27-9-1-10-28-59)35-25-36-64(87)52-48-60-29-11-2-12-30-60/h1-46,55-58H,47-54H2
• InChIKey: VZQMAFTUKVVYMQ-UHFFFAOYSA-N
• XLogP: 21.65
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.55
LogP ≤ 5	21.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The IUPAC name of 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone (CID 162477622) is 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is O=C1c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C(=O)N1c1c(CCc2ccccc2)cccc1CCc1ccccc1)c64)C(=O)N(c1c(CCc2ccccc2)cccc1CCc1ccccc1)C5=O.

What is the InChIKey of 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

The InChIKey is VZQMAFTUKVVYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H66N2O8/c95-89-71-55-75(99-67-39-17-5-18-40-67)81-83-77(101-69-43-21-7-22-44-69)57-73-80-74(92(98)94(91(73)97)88-65(53-49-61-31-13-3-14-32-61)37-26-38-66(88)54-50-62-33-15-4-16-34-62)58-78(102-70-45-23-8-24-46-70)84(86(80)83)82-76(100-68-41-19-6-20-42-68)56-72(79(71)85(81)82)90(96)93(89)87-63(51-47-59-27-9-1-10-28-59)35-25-36-64(87)52-48-60-29-11-2-12-30-60/h1-46,55-58H,47-54H2.

What are the key properties of 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone?

7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone has a molecular weight of 1327.55 g/mol, XLogP of 21.65, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-bis[2,6-bis(2-phenylethyl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 162477622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).