8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]

C85H76 — CID 123464837

About 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]

8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene] (PubChem CID 123464837) has the molecular formula C85H76 and a molecular weight of 1097.54 g/mol. Its IUPAC name is 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene].

Molecular Properties

• Compound Name: 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]
• PubChem CID: 123464837
• Molecular Formula: C85H76
• Molecular Weight: 1097.54 g/mol
• Exact Mass: 1096.59
• IUPAC Name: 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]
• SMILES: CC(C)(C)c1cc(-c2c3ccccc3c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc4c(cc23)-c2ccc3c5cccc6c7c(cc(c8ccc-4c2c38)c65)C2(c3ccccc3-c3ccccc32)c2cc(C(C)(C)C)ccc2-7)cc(C(C)(C)C)c1
• InChI: InChI=1S/C85H76/c1-80(2,3)49-31-32-63-72(43-49)85(70-29-20-18-23-54(70)55-24-19-21-30-71(55)85)73-46-69-62-36-35-61-66-45-68-67(44-65(66)60-34-33-59(78(62)79(60)61)58-27-22-28-64(76(58)69)77(63)73)74(47-37-50(81(4,5)6)41-51(38-47)82(7,8)9)56-25-16-17-26-57(56)75(68)48-39-52(83(10,11)12)42-53(40-48)84(13,14)15/h16-46H,1-15H3
• InChIKey: KNVNAHXGWHTZSK-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.54
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'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 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]?

The IUPAC name of 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene] (CID 123464837) is 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene].

What is the SMILES notation for 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]?

The canonical SMILES for 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene] is CC(C)(C)c1cc(-c2c3ccccc3c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc4c(cc23)-c2ccc3c5cccc6c7c(cc(c8ccc-4c2c38)c65)C2(c3ccccc3-c3ccccc32)c2cc(C(C)(C)C)ccc2-7)cc(C(C)(C)C)c1.

What is the InChIKey of 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]?

The InChIKey is KNVNAHXGWHTZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H76/c1-80(2,3)49-31-32-63-72(43-49)85(70-29-20-18-23-54(70)55-24-19-21-30-71(55)85)73-46-69-62-36-35-61-66-45-68-67(44-65(66)60-34-33-59(78(62)79(60)61)58-27-22-28-64(76(58)69)77(63)73)74(47-37-50(81(4,5)6)41-51(38-47)82(7,8)9)56-25-16-17-26-57(56)75(68)48-39-52(83(10,11)12)42-53(40-48)84(13,14)15/h16-46H,1-15H3.

What are the key properties of 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene]?

8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene] has a molecular weight of 1097.54 g/mol, XLogP of 23.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8'-tert-butyl-25',32'-bis(3,5-ditert-butylphenyl)spiro[fluorene-9,5'-undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18(39),19,21(40),22,24,26,28,30,32,34,36-icosaene] is sourced from PubChem (CID 123464837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).