2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]

C83H64 — CID 170533763

About 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]

2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene] (PubChem CID 170533763) has the molecular formula C83H64 and a molecular weight of 1061.42 g/mol. Its IUPAC name is 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene].

Molecular Properties

• Compound Name: 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]
• PubChem CID: 170533763
• Molecular Formula: C83H64
• Molecular Weight: 1061.42 g/mol
• Exact Mass: 1060.50
• IUPAC Name: 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]
• SMILES: CC(C)(C)c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1ccc(-c2ccc3c(c2)C2(c5ccccc5-3)c3ccccc3-c3ccc(-c5ccc6c(c5)C(C)(C)c5cc7ccc8cc(C(C)(C)C)cc9ccc(c5-6)c7c89)cc32)cc1C4(C)C
• InChI: InChI=1S/C83H64/c1-79(2,3)55-35-49-19-21-53-43-71-77(63-33-27-51(37-55)73(49)75(53)63)61-31-25-45(39-67(61)81(71,7)8)47-23-29-59-57-15-11-13-17-65(57)83(69(59)41-47)66-18-14-12-16-58(66)60-30-24-48(42-70(60)83)46-26-32-62-68(40-46)82(9,10)72-44-54-22-20-50-36-56(80(4,5)6)38-52-28-34-64(78(62)72)76(54)74(50)52/h11-44H,1-10H3
• InChIKey: YJYVLAJLUZHAGI-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.42
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]?

The IUPAC name of 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene] (CID 170533763) is 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene].

What is the SMILES notation for 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]?

The canonical SMILES for 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene] is CC(C)(C)c1cc2ccc3cc4c(c5ccc(c1)c2c35)-c1ccc(-c2ccc3c(c2)C2(c5ccccc5-3)c3ccccc3-c3ccc(-c5ccc6c(c5)C(C)(C)c5cc7ccc8cc(C(C)(C)C)cc9ccc(c5-6)c7c89)cc32)cc1C4(C)C.

What is the InChIKey of 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]?

The InChIKey is YJYVLAJLUZHAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H64/c1-79(2,3)55-35-49-19-21-53-43-71-77(63-33-27-51(37-55)73(49)75(53)63)61-31-25-45(39-67(61)81(71,7)8)47-23-29-59-57-15-11-13-17-65(57)83(69(59)41-47)66-18-14-12-16-58(66)60-30-24-48(42-70(60)83)46-26-32-62-68(40-46)82(9,10)72-44-54-22-20-50-36-56(80(4,5)6)38-52-28-34-64(78(62)72)76(54)74(50)52/h11-44H,1-10H3.

What are the key properties of 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene]?

2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene] has a molecular weight of 1061.42 g/mol, XLogP of 22.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2'-bis(17-tert-butyl-9,9-dimethyl-6-hexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaenyl)-9,9'-spirobi[fluorene] is sourced from PubChem (CID 170533763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).