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

C90H47F15N8O2 — CID 100914019

IUPAC5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]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(OCCOc6ccc(-c7c8nc(c(-c9ccccc9)c9ccc([nH]9)c(-c9ccccc9)c9nc(c(-c%10ccccc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C90H47F15N8O2/c91-76-73(77(92)83(98)88(103)82(76)97)70-59-34-32-57(110-59)69(58-33-35-60(111-58)71(74-78(93)84(99)89(104)85(100)79(74)94)62-37-39-64(113-62)72(63-38-36-61(70)112-63)75-80(95)86(101)90(105)87(102)81(75)96)46-18-22-48(23-19-46)115-41-40-114-47-20-16-45(17-21-47)68-55-30-28-53(108-55)66(43-12-6-2-7-13-43)51-26-24-49(106-51)65(42-10-4-1-5-11-42)50-25-27-52(107-50)67(44-14-8-3-9-15-44)54-29-31-56(68)109-54/h1-39,106,109-110,113H,40-41H2/b65-49-,65-50-,66-51-,66-53-,67-52-,67-54-,68-55-,68-56-,69-57-,69-58-,70-59+,70-61+,71-60+,71-62+,72-63+,72-64+
InChIKeyANGBXIAAECXMCD-XOBBEWQJSA-N
MW1557.39 g/mol
LogP24.50
Rot. Bonds13

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

5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin (PubChem CID 100914019) has the molecular formula C90H47F15N8O2 and a molecular weight of 1557.39 g/mol. Its IUPAC name is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
PubChem CID100914019
Molecular FormulaC90H47F15N8O2
Molecular Weight1557.39 g/mol
Exact Mass1556.36
IUPAC Name5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]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(OCCOc6ccc(-c7c8nc(c(-c9ccccc9)c9ccc([nH]9)c(-c9ccccc9)c9nc(c(-c%10ccccc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)cc5)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C90H47F15N8O2/c91-76-73(77(92)83(98)88(103)82(76)97)70-59-34-32-57(110-59)69(58-33-35-60(111-58)71(74-78(93)84(99)89(104)85(100)79(74)94)62-37-39-64(113-62)72(63-38-36-61(70)112-63)75-80(95)86(101)90(105)87(102)81(75)96)46-18-22-48(23-19-46)115-41-40-114-47-20-16-45(17-21-47)68-55-30-28-53(108-55)66(43-12-6-2-7-13-43)51-26-24-49(106-51)65(42-10-4-1-5-11-42)50-25-27-52(107-50)67(44-14-8-3-9-15-44)54-29-31-56(68)109-54/h1-39,106,109-110,113H,40-41H2/b65-49-,65-50-,66-51-,66-53-,67-52-,67-54-,68-55-,68-56-,69-57-,69-58-,70-59+,70-61+,71-60+,71-62+,72-63+,72-64+
InChIKeyANGBXIAAECXMCD-XOBBEWQJSA-N
XLogP24.50
TPSA133.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001557.39
LogP ≤ 524.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
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(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
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
5,10,15-tris(4-octoxyphenyl)-20-phenyl-21,23-dihydroporphyrin
CID 136819984
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
5-bromo-10,20-bis(2,3,4,5,6-pentafluorophenyl)-15-phenyl-21,23-dihydroporphyrin
CID 136777623
5,10,15-triphenyl-20-(4-undec-10-enoxyphenyl)-21,23-dihydroporphyrin
CID 136883755
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211
20,21,22,23-tetrafluoro-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,13,15,17,19(24),20,22-tridecaene
CID 135401516
4-[10,20-bis(4-cyanophenyl)-15-(2,3,4,5,6-pentafluorophenyl)-21,23-dihydroporphyrin-5-yl]benzonitrile
CID 136814732

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin (CID 100914019) is 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]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(OCCOc6ccc(-c7c8nc(c(-c9ccccc9)c9ccc([nH]9)c(-c9ccccc9)c9nc(c(-c%10ccccc%10)c%10ccc7[nH]%10)C=C9)C=C8)cc6)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-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin?
The InChIKey is ANGBXIAAECXMCD-XOBBEWQJSA-N. The full InChI is InChI=1S/C90H47F15N8O2/c91-76-73(77(92)83(98)88(103)82(76)97)70-59-34-32-57(110-59)69(58-33-35-60(111-58)71(74-78(93)84(99)89(104)85(100)79(74)94)62-37-39-64(113-62)72(63-38-36-61(70)112-63)75-80(95)86(101)90(105)87(102)81(75)96)46-18-22-48(23-19-46)115-41-40-114-47-20-16-45(17-21-47)68-55-30-28-53(108-55)66(43-12-6-2-7-13-43)51-26-24-49(106-51)65(42-10-4-1-5-11-42)50-25-27-52(107-50)67(44-14-8-3-9-15-44)54-29-31-56(68)109-54/h1-39,106,109-110,113H,40-41H2/b65-49-,65-50-,66-51-,66-53-,67-52-,67-54-,68-55-,68-56-,69-57-,69-58-,70-59+,70-61+,71-60+,71-62+,72-63+,72-64+.
What are the key properties of 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin?
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin has a molecular weight of 1557.39 g/mol, XLogP of 24.50, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 100914019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).