AC1NUKEC
4-[(10Z,14Z)-10,15-bis(3,5-ditert-butyl-4-hydroxyphenyl)-20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one
Also Known As: 4-[(10Z,14Z)-10,15-bis(3,5-ditert-butyl-4-hydroxyphenyl)-20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one|4,4'-[15,20-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)porphyrin-5,10(21H,22H)-diylidene]bis(2,6-di-tert-butylcyclohexa-2,5-dien-1-one)
| Molecular Formula | C76H94N4O4 |
|---|---|
| Molecular Weight | 1126.7275 g/mol |
| LogP | 17.0674 |
| Topological Polar Surface Area | 137.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 1126.7275 |
| Monoisotopic Mass | 1126.7275 |
| Heavy Atoms | 84 |
| Complexity | 3649.3818 |
Chemical Identifiers
| CAS Number | 74684-36-9 |
|---|---|
| SMILES | CC(C1=CC(=CC(=C1O)C(C)(C)C)/C/2=C\3/N/C(=C(\C4=CC=C(N4)C(=C5C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)C6=CC=C(N6)C(=C7C=C(C(=O)C(=C7)C(C)(C)C)C(C)(C)C)C8=CC=C2N8)/C9=CC(=C(C(=C9)C(C)(C)C)O)C(C)(C)C)/C=C3)(C)C |
Product Overview
AC1NUKEC (CAS 74684-36-9), with molecular formula C76H94N4O4 and molecular weight 1126.7275 g/mol. IUPAC: 4-[(10Z,14Z)-10,15-bis(3,5-ditert-butyl-4-hydroxyphenyl)-20-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-21,22,23,24-tetrahydroporphyrin-5-ylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one.
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