2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate

C252H308N4O12-4 — CID 165019572

IUPAC2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)ccc7c6O)=C5[O-])ccc4c3)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c(C)c2)C(C)(C)CC1(CC)CC.CCCCC(CC)COc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(OCC(CC)CCCC)cc4C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)cc5O)=C4[O-])c(O)c3)cc2)c(C)c1
InChIInChI=1S/C148H186N2O4.C104H126N2O8/c1-37-141(38-2)79-133(21,22)121-103(141)75-104-122(134(23,24)80-142(104,39-3)40-4)115(121)93-55-65-111(87(17)69-93)149(112-66-56-94(70-88(112)18)116-123-105(143(41-5,42-6)81-135(123,25)26)76-106-124(116)136(27,28)82-144(106,43-7)44-8)97-59-63-99-91(73-97)53-61-101(129(99)151)119-131(153)120(132(119)154)102-62-54-92-74-98(60-64-100(92)130(102)152)150(113-67-57-95(71-89(113)19)117-125-107(145(45-9,46-10)83-137(125,29)30)77-108-126(117)138(31,32)84-146(108,47-11)48-12)114-68-58-96(72-90(114)20)118-127-109(147(49-13,50-14)85-139(127,33)34)78-110-128(118)140(35,36)86-148(110,51-15)52-16;1-17-25-29-75(21-5)63-111-89-53-67(9)97(68(10)54-89)79-33-41-83(42-34-79)105(84-43-35-80(36-44-84)98-69(11)55-90(56-70(98)12)112-64-76(22-6)30-26-18-2)87-49-51-93(95(107)61-87)101-103(109)102(104(101)110)94-52-50-88(62-96(94)108)106(85-45-37-81(38-46-85)99-71(13)57-91(58-72(99)14)113-65-77(23-7)31-27-19-3)86-47-39-82(40-48-86)100-73(15)59-92(60-74(100)16)114-66-78(24-8)32-28-20-4/h53-78,151-154H,37-52,79-86H2,1-36H3;33-62,75-78,107-110H,17-32,63-66H2,1-16H3/p-4
InChIKeyKYLRAZSHNLULEN-UHFFFAOYSA-J
MW3585.25 g/mol
LogP67.43
Rot. Bonds68

About 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate

2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate (PubChem CID 165019572) has the molecular formula C252H308N4O12-4 and a molecular weight of 3585.25 g/mol. Its IUPAC name is 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate.

Molecular Properties

Compound Name2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
PubChem CID165019572
Molecular FormulaC252H308N4O12-4
Molecular Weight3585.25 g/mol
Exact Mass3582.36
IUPAC Name2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)ccc7c6O)=C5[O-])ccc4c3)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c(C)c2)C(C)(C)CC1(CC)CC.CCCCC(CC)COc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(OCC(CC)CCCC)cc4C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)cc5O)=C4[O-])c(O)c3)cc2)c(C)c1
InChIInChI=1S/C148H186N2O4.C104H126N2O8/c1-37-141(38-2)79-133(21,22)121-103(141)75-104-122(134(23,24)80-142(104,39-3)40-4)115(121)93-55-65-111(87(17)69-93)149(112-66-56-94(70-88(112)18)116-123-105(143(41-5,42-6)81-135(123,25)26)76-106-124(116)136(27,28)82-144(106,43-7)44-8)97-59-63-99-91(73-97)53-61-101(129(99)151)119-131(153)120(132(119)154)102-62-54-92-74-98(60-64-100(92)130(102)152)150(113-67-57-95(71-89(113)19)117-125-107(145(45-9,46-10)83-137(125,29)30)77-108-126(117)138(31,32)84-146(108,47-11)48-12)114-68-58-96(72-90(114)20)118-127-109(147(49-13,50-14)85-139(127,33)34)78-110-128(118)140(35,36)86-148(110,51-15)52-16;1-17-25-29-75(21-5)63-111-89-53-67(9)97(68(10)54-89)79-33-41-83(42-34-79)105(84-43-35-80(36-44-84)98-69(11)55-90(56-70(98)12)112-64-76(22-6)30-26-18-2)87-49-51-93(95(107)61-87)101-103(109)102(104(101)110)94-52-50-88(62-96(94)108)106(85-45-37-81(38-46-85)99-71(13)57-91(58-72(99)14)113-65-77(23-7)31-27-19-3)86-47-39-82(40-48-86)100-73(15)59-92(60-74(100)16)114-66-78(24-8)32-28-20-4/h53-78,151-154H,37-52,79-86H2,1-36H3;33-62,75-78,107-110H,17-32,63-66H2,1-16H3/p-4
InChIKeyKYLRAZSHNLULEN-UHFFFAOYSA-J
XLogP67.43
TPSA223.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds68
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003585.25
LogP ≤ 567.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate with MolForge

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Related Compounds

2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
CID 165012205
2,4-bis[2-(2-ethylhexanoylamino)-4-[2-methyl-N-[2-methyl-4-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-(pentanoylamino)naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
CID 164951842
2,4-bis[4-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-1-yl]cyclobuta-1,3-diene-1,3-diolate;2-[4-[4-(1,1-dibutyl-3,3-dimethyl-2H-inden-4-yl)-N-[4-(1,1-dibutyl-3,3-dimethyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]-4-[4-[4-(3,3-dibutyl-1,1-dimethyl-2H-inden-4-yl)-N-[4-(1,1-dibutyl-3,3-dimethyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate
CID 164979296
2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]-1-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diol
CID 164791451
2,4-bis[2,6-dihydroxy-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate;2-[2-(hydroxymethyl)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]-4-[2-methoxy-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
CID 164986668
2,4-bis[2,6-dihydroxy-4-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756103
CID 174926465
CID 174926465
5-(2-ethylhexoxy)-2-[4-[4-(2-ethylhexoxy)-2-hydroxyphenyl]-6-[4-(2-ethylhexoxy)phenyl]-1,3,5-triazin-2-yl]phenol
CID 137127599
2,4-bis[4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756189
4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]-N,N-bis[4-[7-[4-(2-ethylhexoxy)phenyl]-9,9-dipropylfluoren-2-yl]phenyl]aniline
CID 118468095
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
CID 165067142
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol;2-(4-dodecoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164970896

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?
The IUPAC name of 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate (CID 165019572) is 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate.
What is the SMILES notation for 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?
The canonical SMILES for 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate is CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc4c(O)c(C5=C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CC)CC)C(CC)(CC)CC%10(C)C)cc8C)ccc7c6O)=C5[O-])ccc4c3)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c(C)c2)C(C)(C)CC1(CC)CC.CCCCC(CC)COc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(OCC(CC)CCCC)cc4C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)c6ccc(-c7c(C)cc(OCC(CC)CCCC)cc7C)cc6)cc5O)=C4[O-])c(O)c3)cc2)c(C)c1.
What is the InChIKey of 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?
The InChIKey is KYLRAZSHNLULEN-UHFFFAOYSA-J. The full InChI is InChI=1S/C148H186N2O4.C104H126N2O8/c1-37-141(38-2)79-133(21,22)121-103(141)75-104-122(134(23,24)80-142(104,39-3)40-4)115(121)93-55-65-111(87(17)69-93)149(112-66-56-94(70-88(112)18)116-123-105(143(41-5,42-6)81-135(123,25)26)76-106-124(116)136(27,28)82-144(106,43-7)44-8)97-59-63-99-91(73-97)53-61-101(129(99)151)119-131(153)120(132(119)154)102-62-54-92-74-98(60-64-100(92)130(102)152)150(113-67-57-95(71-89(113)19)117-125-107(145(45-9,46-10)83-137(125,29)30)77-108-126(117)138(31,32)84-146(108,47-11)48-12)114-68-58-96(72-90(114)20)118-127-109(147(49-13,50-14)85-139(127,33)34)78-110-128(118)140(35,36)86-148(110,51-15)52-16;1-17-25-29-75(21-5)63-111-89-53-67(9)97(68(10)54-89)79-33-41-83(42-34-79)105(84-43-35-80(36-44-84)98-69(11)55-90(56-70(98)12)112-64-76(22-6)30-26-18-2)87-49-51-93(95(107)61-87)101-103(109)102(104(101)110)94-52-50-88(62-96(94)108)106(85-45-37-81(38-46-85)99-71(13)57-91(58-72(99)14)113-65-77(23-7)31-27-19-3)86-47-39-82(40-48-86)100-73(15)59-92(60-74(100)16)114-66-78(24-8)32-28-20-4/h53-78,151-154H,37-52,79-86H2,1-36H3;33-62,75-78,107-110H,17-32,63-66H2,1-16H3/p-4.
What are the key properties of 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate?
2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate has a molecular weight of 3585.25 g/mol, XLogP of 67.43, 68 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]-N-[4-[4-(2-ethylhexoxy)-2,6-dimethylphenyl]phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[2-methyl-N-[2-methyl-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate is sourced from PubChem (CID 165019572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).