5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin

C76H20F30N8 — CID 102175500

IUPAC5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6nc(c(-c7c(F)c(F)c(F)c(F)c7F)c7ccc4[nH]7)C=C6)C=C5)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C76H20F30N8/c77-47-41(48(78)60(90)71(101)59(47)89)35-21-5-1-17(107-21)33(18-2-6-22(108-18)36(42-49(79)61(91)72(102)62(92)50(42)80)26-10-14-30(112-26)39(29-13-9-25(35)111-29)45-55(85)67(97)75(105)68(98)56(45)86)34-19-3-7-23(109-19)37(43-51(81)63(93)73(103)64(94)52(43)82)27-11-15-31(113-27)40(46-57(87)69(99)76(106)70(100)58(46)88)32-16-12-28(114-32)38(24-8-4-20(34)110-24)44-53(83)65(95)74(104)66(96)54(44)84/h1-16,107,109,112,114H/b33-17+,33-18+,34-19+,34-20+,35-21+,35-25+,36-22+,36-26+,37-23+,37-27+,38-24+,38-28+,39-29+,39-30+,40-31+,40-32+
InChIKeyJDUCFJHMPPEHLN-VSBXRQGVSA-N
MW1614.99 g/mol
LogP23.47
Rot. Bonds7

About 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin

5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin (PubChem CID 102175500) has the molecular formula C76H20F30N8 and a molecular weight of 1614.99 g/mol. Its IUPAC name is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin
PubChem CID102175500
Molecular FormulaC76H20F30N8
Molecular Weight1614.99 g/mol
Exact Mass1614.13
IUPAC Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6nc(c(-c7c(F)c(F)c(F)c(F)c7F)c7ccc4[nH]7)C=C6)C=C5)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C76H20F30N8/c77-47-41(48(78)60(90)71(101)59(47)89)35-21-5-1-17(107-21)33(18-2-6-22(108-18)36(42-49(79)61(91)72(102)62(92)50(42)80)26-10-14-30(112-26)39(29-13-9-25(35)111-29)45-55(85)67(97)75(105)68(98)56(45)86)34-19-3-7-23(109-19)37(43-51(81)63(93)73(103)64(94)52(43)82)27-11-15-31(113-27)40(46-57(87)69(99)76(106)70(100)58(46)88)32-16-12-28(114-32)38(24-8-4-20(34)110-24)44-53(83)65(95)74(104)66(96)54(44)84/h1-16,107,109,112,114H/b33-17+,33-18+,34-19+,34-20+,35-21+,35-25+,36-22+,36-26+,37-23+,37-27+,38-24+,38-28+,39-29+,39-30+,40-31+,40-32+
InChIKeyJDUCFJHMPPEHLN-VSBXRQGVSA-N
XLogP23.47
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001614.99
LogP ≤ 523.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin
CID 135401562
5,15-Diphenyl-21H,23H-porphine
CID 10895852
5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin
CID 70186
5,15-Diphenyl-2,3,22,24-tetrahydroporphyrin
CID 11719635
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 135405350
Ttmapp
CID 135433388
5,10,15,20-Tetrakis(4-aminophenyl)-21H,23H-porphine
CID 135411734
Tetraphenylporphyrin
CID 86280046
5,10,15,20-Tetrakis(p-tolyl)porphyrin
CID 135401992
Tetrakis(o-aminophenyl)porphyrin
CID 135431066
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,6-difluoro-phenyl)-porphyrin
CID 5250181
(1Z,4Z,9Z,15Z)-5,10,15,20-Tetrakis-(2,4-difluoro-phenyl)-porphyrin
CID 10327777

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin (CID 102175500) is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc([nH]6)c(-c6c(F)c(F)c(F)c(F)c6F)c6nc(c(-c7c(F)c(F)c(F)c(F)c7F)c7ccc4[nH]7)C=C6)C=C5)c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.
What is the InChIKey of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin?
The InChIKey is JDUCFJHMPPEHLN-VSBXRQGVSA-N. The full InChI is InChI=1S/C76H20F30N8/c77-47-41(48(78)60(90)71(101)59(47)89)35-21-5-1-17(107-21)33(18-2-6-22(108-18)36(42-49(79)61(91)72(102)62(92)50(42)80)26-10-14-30(112-26)39(29-13-9-25(35)111-29)45-55(85)67(97)75(105)68(98)56(45)86)34-19-3-7-23(109-19)37(43-51(81)63(93)73(103)64(94)52(43)82)27-11-15-31(113-27)40(46-57(87)69(99)76(106)70(100)58(46)88)32-16-12-28(114-32)38(24-8-4-20(34)110-24)44-53(83)65(95)74(104)66(96)54(44)84/h1-16,107,109,112,114H/b33-17+,33-18+,34-19+,34-20+,35-21+,35-25+,36-22+,36-26+,37-23+,37-27+,38-24+,38-28+,39-29+,39-30+,40-31+,40-32+.
What are the key properties of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin?
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin has a molecular weight of 1614.99 g/mol, XLogP of 23.47, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]-21,23-dihydroporphyrin is sourced from PubChem (CID 102175500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).