10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]

C92H44F52N+ — CID 102345239

About 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]

10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] (PubChem CID 102345239) has the molecular formula C92H44F52N+ and a molecular weight of 2151.27 g/mol. Its IUPAC name is 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene].

Molecular Properties

• Compound Name: 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
• PubChem CID: 102345239
• Molecular Formula: C92H44F52N+
• Molecular Weight: 2151.27 g/mol
• Exact Mass: 2150.26
• IUPAC Name: 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccc(-c3cc4ccccc4c4c3C[N+]3(Cc5ccc6ccccc6c5-c5c(ccc6ccccc56)C3)Cc3c(-c5ccc(-c6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)cc5)cc5ccccc5c3-4)cc2)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
• InChI: InChI=1S/C92H44F52N/c93-69(94,73(101,102)77(109,110)81(117,118)85(125,126)89(133,134)135)53-29-51(30-54(35-53)70(95,96)74(103,104)78(111,112)82(119,120)86(127,128)90(136,137)138)41-17-21-45(22-18-41)61-33-47-11-3-7-15-59(47)67-63(61)39-145(37-49-27-25-43-9-1-5-13-57(43)65(49)66-50(38-145)28-26-44-10-2-6-14-58(44)66)40-64-62(34-48-12-4-8-16-60(48)68(64)67)46-23-19-42(20-24-46)52-31-55(71(97,98)75(105,106)79(113,114)83(121,122)87(129,130)91(139,140)141)36-56(32-52)72(99,100)76(107,108)80(115,116)84(123,124)88(131,132)92(142,143)144/h1-36H,37-40H2/q+1
• InChIKey: MINQJDUZKBMGRG-UHFFFAOYSA-N
• XLogP: 34.63
• TPSA: 0.00 Ų
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2151.27
LogP ≤ 5	34.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]?

The IUPAC name of 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] (CID 102345239) is 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene].

What is the SMILES notation for 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]?

The canonical SMILES for 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccc(-c3cc4ccccc4c4c3C[N+]3(Cc5ccc6ccccc6c5-c5c(ccc6ccccc56)C3)Cc3c(-c5ccc(-c6cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c6)cc5)cc5ccccc5c3-4)cc2)cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.

What is the InChIKey of 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]?

The InChIKey is MINQJDUZKBMGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H44F52N/c93-69(94,73(101,102)77(109,110)81(117,118)85(125,126)89(133,134)135)53-29-51(30-54(35-53)70(95,96)74(103,104)78(111,112)82(119,120)86(127,128)90(136,137)138)41-17-21-45(22-18-41)61-33-47-11-3-7-15-59(47)67-63(61)39-145(37-49-27-25-43-9-1-5-13-57(43)65(49)66-50(38-145)28-26-44-10-2-6-14-58(44)66)40-64-62(34-48-12-4-8-16-60(48)68(64)67)46-23-19-42(20-24-46)52-31-55(71(97,98)75(105,106)79(113,114)83(121,122)87(129,130)91(139,140)141)36-56(32-52)72(99,100)76(107,108)80(115,116)84(123,124)88(131,132)92(142,143)144/h1-36H,37-40H2/q+1.

What are the key properties of 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]?

10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] has a molecular weight of 2151.27 g/mol, XLogP of 34.63, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10',16'-bis[4-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phenyl]-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene] is sourced from PubChem (CID 102345239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).