7,18-bis(2,6-dimethylphenyl)-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

C64H42N2O8 — CID 59194238

About 7,18-bis(2,6-dimethylphenyl)-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-dimethylphenyl)-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 59194238) has the molecular formula C64H42N2O8 and a molecular weight of 967.05 g/mol. Its IUPAC name is 7,18-bis(2,6-dimethylphenyl)-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-dimethylphenyl)-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: 59194238
• Molecular Formula: C64H42N2O8
• Molecular Weight: 967.05 g/mol
• Exact Mass: 966.29
• IUPAC Name: 7,18-bis(2,6-dimethylphenyl)-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: Cc1cccc(C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C)cccc1C)C5=O
• InChI: InChI=1S/C64H42N2O8/c1-35-19-17-20-36(2)59(35)65-61(67)43-31-47(71-39-23-9-5-10-24-39)53-55-49(73-41-27-13-7-14-28-41)33-45-52-46(64(70)66(63(45)69)60-37(3)21-18-22-38(60)4)34-50(74-42-29-15-8-16-30-42)56(58(52)55)54-48(72-40-25-11-6-12-26-40)32-44(62(65)68)51(43)57(53)54/h5-34H,1-4H3
• InChIKey: VVDNOJHIFNZYED-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 111.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.05
LogP ≤ 5	15.74
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-dimethylphenyl)-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-dimethylphenyl)-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 59194238) is 7,18-bis(2,6-dimethylphenyl)-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-dimethylphenyl)-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-dimethylphenyl)-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 Cc1cccc(C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=O)c64)C(=O)N(c1c(C)cccc1C)C5=O.

What is the InChIKey of 7,18-bis(2,6-dimethylphenyl)-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 VVDNOJHIFNZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O8/c1-35-19-17-20-36(2)59(35)65-61(67)43-31-47(71-39-23-9-5-10-24-39)53-55-49(73-41-27-13-7-14-28-41)33-45-52-46(64(70)66(63(45)69)60-37(3)21-18-22-38(60)4)34-50(74-42-29-15-8-16-30-42)56(58(52)55)54-48(72-40-25-11-6-12-26-40)32-44(62(65)68)51(43)57(53)54/h5-34H,1-4H3.

What are the key properties of 7,18-bis(2,6-dimethylphenyl)-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-dimethylphenyl)-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 967.05 g/mol, XLogP of 15.74, 10 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-dimethylphenyl)-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 59194238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).