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

C82H24F30N8 — CID 100930941

IUPAC5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8c(F)c(F)c(F)c(F)c8F)c8nc(c(-c9c(F)c(F)c(F)c(F)c9F)c9ccc6[nH]9)C=C8)C=C7)cc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C82H24F30N8/c83-53-47(54(84)66(96)77(107)65(53)95)41-27-9-5-23(113-27)39(24-6-10-28(114-24)42(48-55(85)67(97)78(108)68(98)56(48)86)32-14-18-36(118-32)45(35-17-13-31(41)117-35)51-61(91)73(103)81(111)74(104)62(51)92)21-1-2-22(4-3-21)40-25-7-11-29(115-25)43(49-57(87)69(99)79(109)70(100)58(49)88)33-15-19-37(119-33)46(52-63(93)75(105)82(112)76(106)64(52)94)38-20-16-34(120-38)44(30-12-8-26(40)116-30)50-59(89)71(101)80(110)72(102)60(50)90/h1-20,113,115,118,120H/b39-23-,39-24-,40-25-,40-26-,41-27+,41-31+,42-28+,42-32+,43-29+,43-33+,44-30+,44-34+,45-35+,45-36+,46-37+,46-38+
InChIKeyDDYVGQMTOGBPQG-IJKGTSABSA-N
MW1691.09 g/mol
LogP25.13
Rot. Bonds8

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

5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin (PubChem CID 100930941) has the molecular formula C82H24F30N8 and a molecular weight of 1691.09 g/mol. Its IUPAC name is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
PubChem CID100930941
Molecular FormulaC82H24F30N8
Molecular Weight1691.09 g/mol
Exact Mass1690.16
IUPAC Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8c(F)c(F)c(F)c(F)c8F)c8nc(c(-c9c(F)c(F)c(F)c(F)c9F)c9ccc6[nH]9)C=C8)C=C7)cc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C82H24F30N8/c83-53-47(54(84)66(96)77(107)65(53)95)41-27-9-5-23(113-27)39(24-6-10-28(114-24)42(48-55(85)67(97)78(108)68(98)56(48)86)32-14-18-36(118-32)45(35-17-13-31(41)117-35)51-61(91)73(103)81(111)74(104)62(51)92)21-1-2-22(4-3-21)40-25-7-11-29(115-25)43(49-57(87)69(99)79(109)70(100)58(49)88)33-15-19-37(119-33)46(52-63(93)75(105)82(112)76(106)64(52)94)38-20-16-34(120-38)44(30-12-8-26(40)116-30)50-59(89)71(101)80(110)72(102)60(50)90/h1-20,113,115,118,120H/b39-23-,39-24-,40-25-,40-26-,41-27+,41-31+,42-28+,42-32+,43-29+,43-33+,44-30+,44-34+,45-35+,45-36+,46-37+,46-38+
InChIKeyDDYVGQMTOGBPQG-IJKGTSABSA-N
XLogP25.13
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001691.09
LogP ≤ 525.13
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-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;hydrochloride
CID 172772956
2,7,12-tris(2,3,4,5,6-pentafluorophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102382676
4-[5,15-bis(2,3,4,5,6-pentafluorophenyl)-22,24-dihydro-21H-corrin-10-yl]aniline
CID 102436825
iron(2+);5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin;dichloride
CID 175795325
4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzaldehyde
CID 136915978
4-[10,20-bis(4-cyanophenyl)-15-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile
CID 136814732
15-[10,15-bis(2,3,4,5,6-pentafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-5,10-bis(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-corrin
CID 137265355
2,13,24-tris(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30-hexakis-phenyl-34,35,36,37,38,39-hexazaheptacyclo[29.2.1.13,6.19,12.114,17.120,23.125,28]nonatriaconta-1(34),2,4,6,8,10,12(38),13,15,17,19,21,23(36),24,26,28,30,32-octadecaene
CID 177390418
5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
CID 135482049
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 174785933
5-(4-azidophenyl)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin
CID 162352982

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin (CID 100930941) is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4nc(c(-c5ccc(-c6c7nc(c(-c8c(F)c(F)c(F)c(F)c8F)c8ccc([nH]8)c(-c8c(F)c(F)c(F)c(F)c8F)c8nc(c(-c9c(F)c(F)c(F)c(F)c9F)c9ccc6[nH]9)C=C8)C=C7)cc5)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-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
The InChIKey is DDYVGQMTOGBPQG-IJKGTSABSA-N. The full InChI is InChI=1S/C82H24F30N8/c83-53-47(54(84)66(96)77(107)65(53)95)41-27-9-5-23(113-27)39(24-6-10-28(114-24)42(48-55(85)67(97)78(108)68(98)56(48)86)32-14-18-36(118-32)45(35-17-13-31(41)117-35)51-61(91)73(103)81(111)74(104)62(51)92)21-1-2-22(4-3-21)40-25-7-11-29(115-25)43(49-57(87)69(99)79(109)70(100)58(49)88)33-15-19-37(119-33)46(52-63(93)75(105)82(112)76(106)64(52)94)38-20-16-34(120-38)44(30-12-8-26(40)116-30)50-59(89)71(101)80(110)72(102)60(50)90/h1-20,113,115,118,120H/b39-23-,39-24-,40-25-,40-26-,41-27+,41-31+,42-28+,42-32+,43-29+,43-33+,44-30+,44-34+,45-35+,45-36+,46-37+,46-38+.
What are the key properties of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin?
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1691.09 g/mol, XLogP of 25.13, 8 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-[4-[10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 100930941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).