N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline

C118H115F12N9O — CID 59227155

IUPACN-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(N(c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1
InChIInChI=1S/C118H115F12N9O/c1-19-29-38-70(20-2)61-140-76-57-55-75(56-58-76)139(73-51-47-71(48-52-73)97-111-81(25-7)66(15)107(135-111)99(85-39-30-34-43-89(85)115(119,120)121)103-62(11)77(21-3)93(131-103)59-94-78(22-4)63(12)104(132-94)100(108-67(16)82(26-8)112(97)136-108)86-40-31-35-44-90(86)116(122,123)124)74-53-49-72(50-54-74)98-113-83(27-9)68(17)109(137-113)101(87-41-32-36-45-91(87)117(125,126)127)105-64(13)79(23-5)95(133-105)60-96-80(24-6)65(14)106(134-96)102(110-69(18)84(28-10)114(98)138-110)88-42-33-37-46-92(88)118(128,129)130/h30-37,39-60,70,131,133,136,138H,19-29,38,61H2,1-18H3/b93-59-,94-59-,95-60-,96-60-,103-99-,104-100-,105-101-,106-102-,107-99-,108-100-,109-101-,110-102-,111-97-,112-97-,113-98-,114-98-
InChIKeyFXVVEYXINOOXME-PAVUILHSSA-N
MW1903.26 g/mol
LogP35.93
Rot. Bonds24

About N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline

N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline (PubChem CID 59227155) has the molecular formula C118H115F12N9O and a molecular weight of 1903.26 g/mol. Its IUPAC name is N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
PubChem CID59227155
Molecular FormulaC118H115F12N9O
Molecular Weight1903.26 g/mol
Exact Mass1901.90
IUPAC NameN-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(N(c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1
InChIInChI=1S/C118H115F12N9O/c1-19-29-38-70(20-2)61-140-76-57-55-75(56-58-76)139(73-51-47-71(48-52-73)97-111-81(25-7)66(15)107(135-111)99(85-39-30-34-43-89(85)115(119,120)121)103-62(11)77(21-3)93(131-103)59-94-78(22-4)63(12)104(132-94)100(108-67(16)82(26-8)112(97)136-108)86-40-31-35-44-90(86)116(122,123)124)74-53-49-72(50-54-74)98-113-83(27-9)68(17)109(137-113)101(87-41-32-36-45-91(87)117(125,126)127)105-64(13)79(23-5)95(133-105)60-96-80(24-6)65(14)106(134-96)102(110-69(18)84(28-10)114(98)138-110)88-42-33-37-46-92(88)118(128,129)130/h30-37,39-60,70,131,133,136,138H,19-29,38,61H2,1-18H3/b93-59-,94-59-,95-60-,96-60-,103-99-,104-100-,105-101-,106-102-,107-99-,108-100-,109-101-,110-102-,111-97-,112-97-,113-98-,114-98-
InChIKeyFXVVEYXINOOXME-PAVUILHSSA-N
XLogP35.93
TPSA127.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001903.26
LogP ≤ 535.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline (CID 59227155) is N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline.
What is the SMILES notation for N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The canonical SMILES for N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline is CCCCC(CC)COc1ccc(N(c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)c2ccc(-c3c4nc(c(-c5ccccc5C(F)(F)F)c5[nH]c(cc6nc(c(-c7ccccc7C(F)(F)F)c7[nH]c3c(CC)c7C)C(C)=C6CC)c(CC)c5C)C(C)=C4CC)cc2)cc1.
What is the InChIKey of N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
The InChIKey is FXVVEYXINOOXME-PAVUILHSSA-N. The full InChI is InChI=1S/C118H115F12N9O/c1-19-29-38-70(20-2)61-140-76-57-55-75(56-58-76)139(73-51-47-71(48-52-73)97-111-81(25-7)66(15)107(135-111)99(85-39-30-34-43-89(85)115(119,120)121)103-62(11)77(21-3)93(131-103)59-94-78(22-4)63(12)104(132-94)100(108-67(16)82(26-8)112(97)136-108)86-40-31-35-44-90(86)116(122,123)124)74-53-49-72(50-54-74)98-113-83(27-9)68(17)109(137-113)101(87-41-32-36-45-91(87)117(125,126)127)105-64(13)79(23-5)95(133-105)60-96-80(24-6)65(14)106(134-96)102(110-69(18)84(28-10)114(98)138-110)88-42-33-37-46-92(88)118(128,129)130/h30-37,39-60,70,131,133,136,138H,19-29,38,61H2,1-18H3/b93-59-,94-59-,95-60-,96-60-,103-99-,104-100-,105-101-,106-102-,107-99-,108-100-,109-101-,110-102-,111-97-,112-97-,113-98-,114-98-.
What are the key properties of N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline?
N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline has a molecular weight of 1903.26 g/mol, XLogP of 35.93, 24 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]aniline is sourced from PubChem (CID 59227155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).