5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin

C92H26F100N4S4 — CID 135804007

IUPAC5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C92H26F100N4S4/c93-33-29(34(94)42(102)49(41(33)101)197-13-9-53(109,110)57(117,118)61(125,126)65(133,134)69(141,142)73(149,150)77(157,158)81(165,166)85(173,174)89(181,182)183)25-17-1-2-18(193-17)26(30-35(95)43(103)50(44(104)36(30)96)198-14-10-54(111,112)58(119,120)62(127,128)66(135,136)70(143,144)74(151,152)78(159,160)82(167,168)86(175,176)90(184,185)186)20-5-6-22(195-20)28(32-39(99)47(107)52(48(108)40(32)100)200-16-12-56(115,116)60(123,124)64(131,132)68(139,140)72(147,148)76(155,156)80(163,164)84(171,172)88(179,180)92(190,191)192)24-8-7-23(196-24)27(21-4-3-19(25)194-21)31-37(97)45(105)51(46(106)38(31)98)199-15-11-55(113,114)59(121,122)63(129,130)67(137,138)71(145,146)75(153,154)79(161,162)83(169,170)87(177,178)91(187,188)189/h1-8,193,196H,9-16H2/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+
InChIKeyLUUOUNOJFJEOFT-SCNOFKTBSA-N
MW3215.32 g/mol
LogP44.60
Rot. Bonds52

About 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin (PubChem CID 135804007) has the molecular formula C92H26F100N4S4 and a molecular weight of 3215.32 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin
PubChem CID135804007
Molecular FormulaC92H26F100N4S4
Molecular Weight3215.32 g/mol
Exact Mass3213.94
IUPAC Name5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C92H26F100N4S4/c93-33-29(34(94)42(102)49(41(33)101)197-13-9-53(109,110)57(117,118)61(125,126)65(133,134)69(141,142)73(149,150)77(157,158)81(165,166)85(173,174)89(181,182)183)25-17-1-2-18(193-17)26(30-35(95)43(103)50(44(104)36(30)96)198-14-10-54(111,112)58(119,120)62(127,128)66(135,136)70(143,144)74(151,152)78(159,160)82(167,168)86(175,176)90(184,185)186)20-5-6-22(195-20)28(32-39(99)47(107)52(48(108)40(32)100)200-16-12-56(115,116)60(123,124)64(131,132)68(139,140)72(147,148)76(155,156)80(163,164)84(171,172)88(179,180)92(190,191)192)24-8-7-23(196-24)27(21-4-3-19(25)194-21)31-37(97)45(105)51(46(106)38(31)98)199-15-11-55(113,114)59(121,122)63(129,130)67(137,138)71(145,146)75(153,154)79(161,162)83(169,170)87(177,178)91(187,188)189/h1-8,193,196H,9-16H2/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+
InChIKeyLUUOUNOJFJEOFT-SCNOFKTBSA-N
XLogP44.60
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds52
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003215.32
LogP ≤ 544.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin (CID 135804007) is 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin is Fc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c4F)c4nc(c(-c5c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin?
The InChIKey is LUUOUNOJFJEOFT-SCNOFKTBSA-N. The full InChI is InChI=1S/C92H26F100N4S4/c93-33-29(34(94)42(102)49(41(33)101)197-13-9-53(109,110)57(117,118)61(125,126)65(133,134)69(141,142)73(149,150)77(157,158)81(165,166)85(173,174)89(181,182)183)25-17-1-2-18(193-17)26(30-35(95)43(103)50(44(104)36(30)96)198-14-10-54(111,112)58(119,120)62(127,128)66(135,136)70(143,144)74(151,152)78(159,160)82(167,168)86(175,176)90(184,185)186)20-5-6-22(195-20)28(32-39(99)47(107)52(48(108)40(32)100)200-16-12-56(115,116)60(123,124)64(131,132)68(139,140)72(147,148)76(155,156)80(163,164)84(171,172)88(179,180)92(190,191)192)24-8-7-23(196-24)27(21-4-3-19(25)194-21)31-37(97)45(105)51(46(106)38(31)98)199-15-11-55(113,114)59(121,122)63(129,130)67(137,138)71(145,146)75(153,154)79(161,162)83(169,170)87(177,178)91(187,188)189/h1-8,193,196H,9-16H2/b25-17+,25-19+,26-18+,26-20+,27-21+,27-23+,28-22+,28-24+.
What are the key properties of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin has a molecular weight of 3215.32 g/mol, XLogP of 44.60, 52 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135804007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).