8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene

C56H80O4Se8 — CID 132567880

About 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene

8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene (PubChem CID 132567880) has the molecular formula C56H80O4Se8 and a molecular weight of 1448.93 g/mol. Its IUPAC name is 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene.

Molecular Properties

• Compound Name: 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene
• PubChem CID: 132567880
• Molecular Formula: C56H80O4Se8
• Molecular Weight: 1448.93 g/mol
• Exact Mass: 1455.94
• IUPAC Name: 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene
• SMILES: CCOc1c2cc(C(C)(C)C)cc1C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]C2
• InChI: InChI=1S/C56H80O4Se8/c1-17-57-49-37-21-45(53(5,6)7)22-38(49)30-62-64-32-40-24-47(55(11,12)13)26-42(51(40)59-19-3)34-66-68-36-44-28-48(56(14,15)16)27-43(52(44)60-20-4)35-67-65-33-41-25-46(54(8,9)10)23-39(31-63-61-29-37)50(41)58-18-2/h21-28H,17-20,29-36H2,1-16H3
• InChIKey: MFUAPNDABOHVIX-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.93
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene?

The IUPAC name of 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene (CID 132567880) is 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene.

What is the SMILES notation for 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene?

The canonical SMILES for 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene is CCOc1c2cc(C(C)(C)C)cc1C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]Cc1cc(C(C)(C)C)cc(c1OCC)C[Se][Se]C2.

What is the InChIKey of 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene?

The InChIKey is MFUAPNDABOHVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H80O4Se8/c1-17-57-49-37-21-45(53(5,6)7)22-38(49)30-62-64-32-40-24-47(55(11,12)13)26-42(51(40)59-19-3)34-66-68-36-44-28-48(56(14,15)16)27-43(52(44)60-20-4)35-67-65-33-41-25-46(54(8,9)10)23-39(31-63-61-29-37)50(41)58-18-2/h21-28H,17-20,29-36H2,1-16H3.

What are the key properties of 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene?

8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene has a molecular weight of 1448.93 g/mol, XLogP of 10.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8,17,26,35-tetratert-butyl-37,38,39,40-tetraethoxy-3,4,12,13,21,22,30,31-octaselenapentacyclo[31.3.1.16,10.115,19.124,28]tetraconta-1(36),6,8,10(40),15,17,19(39),24(38),25,27,33(37),34-dodecaene is sourced from PubChem (CID 132567880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).