N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline

C118H119F12N9O — CID 91573495

IUPACN-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(N(c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)cc2)c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)cc2)cc1
InChIInChI=1S/C118H119F12N9O/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/h30-37,39-60,70,131-138H,19-29,38,61H2,1-18H3
InChIKeyZMNKNXFGMKNNAS-UHFFFAOYSA-N
MW1907.29 g/mol
LogP25.19
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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline (PubChem CID 91573495) has the molecular formula C118H119F12N9O and a molecular weight of 1907.29 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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline
PubChem CID91573495
Molecular FormulaC118H119F12N9O
Molecular Weight1907.29 g/mol
Exact Mass1905.93
IUPAC NameN-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline
SMILESCCCCC(CC)COc1ccc(N(c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)cc2)c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)cc2)cc1
InChIInChI=1S/C118H119F12N9O/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/h30-37,39-60,70,131-138H,19-29,38,61H2,1-18H3
InChIKeyZMNKNXFGMKNNAS-UHFFFAOYSA-N
XLogP25.19
TPSA138.79 Ų
H-Bond Donors8
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.29
LogP ≤ 525.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline with MolForge

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Related Compounds

5-(4-Pentafluorophenyloxy-phenyl)-10,15,20-triphenyl-porphyrin
CID 135524771
3-[4-[10,20-Bis[4-(trifluoromethyl)phenyl]-15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylazanium diiodide
CID 136099758
(5Z,10Z,14Z,19Z)-7-(4-methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 135413910
5,10,15,20-Tetrakis(4-ethoxyphenyl)-21H,23H-porphine
CID 135476644
Tetrakis(4-methoxyphenyl)porphyrin
CID 66941537
Meso-tetra[4-(allyloxy)phenyl] porphine
CID 135491531
5,10,15,20-Tetrakis-(4-(hexyloxy) phenyl)-porphyrin
CID 136171992
5,10,15,20-Tetrakis(p-n-hexadecyloxyphenyl)porphyrin
CID 136341132
10,20-Bis(3,5-dimethylphenyl)-n5,n5,n15,n15-tetrakis(4-methoxyphenyl)porphyrin-5,15-diamine
CID 166890594
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
N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-N-phenylaniline
CID 91588979
N-[4-(2-ethylhexoxy)phenyl]-4-[15-[4-(N-[4-(2-ethylhexoxy)phenyl]anilino)phenyl]-10,20-bis(trifluoromethyl)-21,23-dihydroporphyrin-5-yl]-N-phenylaniline
CID 136194063

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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline (CID 91573495) is N-[4-(2-ethylhexoxy)phenyl]-4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline is CCCCC(CC)COc1ccc(N(c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)cc2)c2ccc(C3=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c(c(CC)c4C)C=c4[nH]c(c(C)c4CC)=C(c4ccccc4C(F)(F)F)c4[nH]c3c(CC)c4C)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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline?
The InChIKey is ZMNKNXFGMKNNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H119F12N9O/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/h30-37,39-60,70,131-138H,19-29,38,61H2,1-18H3.
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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline has a molecular weight of 1907.29 g/mol, XLogP of 25.19, 24 rotatable bonds, 8 hydrogen bond donors, and 2 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]-21,22,23,24-tetrahydroporphyrin-5-yl]-N-[4-[3,7,13,17-tetraethyl-2,8,12,18-tetramethyl-10,20-bis[2-(trifluoromethyl)phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]aniline is sourced from PubChem (CID 91573495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).