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

C266H300N8O8-4 — CID 164951842

IUPAC2,4-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
SMILESCCCCC(=O)Nc1c(C2=C([O-])C(c3ccc4cc(N(c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)ccc4c3NC(=O)CCCC)=C2[O-])ccc2cc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)ccc12.CCCCC(CC)C(=O)Nc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2C)c2ccc(-c3ccccc3-c3ccccc3)cc2C)ccc1C1=C([O-])C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3C)c3ccc(-c4ccccc4-c4ccccc4)cc3C)cc2NC(=O)C(CC)CCCC)=C1[O-]
InChIInChI=1S/C158H204N4O4.C108H100N4O4/c1-39-57-59-123(163)159-139-107-71-67-105(161(119-73-63-101(77-95(119)19)125-131-111(151(41-3,42-4)87-143(131,23)24)83-112-132(125)144(25,26)88-152(112,43-5)44-6)120-74-64-102(78-96(120)20)126-133-113(153(45-7,46-8)89-145(133,27)28)84-114-134(126)146(29,30)90-154(114,47-9)48-10)81-99(107)61-69-109(139)129-141(165)130(142(129)166)110-70-62-100-82-106(68-72-108(100)140(110)160-124(164)60-58-40-2)162(121-75-65-103(79-97(121)21)127-135-115(155(49-11,50-12)91-147(135,31)32)85-116-136(127)148(33,34)92-156(116,51-13)52-14)122-76-66-104(80-98(122)22)128-137-117(157(53-15,54-16)93-149(137,35)36)86-118-138(128)150(37,38)94-158(118,55-17)56-18;1-9-13-35-75(11-3)107(115)109-97-69-85(111(99-61-53-81(65-71(99)5)91-49-31-27-45-87(91)77-37-19-15-20-38-77)100-62-54-82(66-72(100)6)92-50-32-28-46-88(92)78-39-21-16-22-40-78)57-59-95(97)103-105(113)104(106(103)114)96-60-58-86(70-98(96)110-108(116)76(12-4)36-14-10-2)112(101-63-55-83(67-73(101)7)93-51-33-29-47-89(93)79-41-23-17-24-42-79)102-64-56-84(68-74(102)8)94-52-34-30-48-90(94)80-43-25-18-26-44-80/h61-86,165-166H,39-60,87-94H2,1-38H3,(H,159,163)(H,160,164);15-34,37-70,75-76,113-114H,9-14,35-36H2,1-8H3,(H,109,115)(H,110,116)/p-4
InChIKeyAQCSJETVONROEU-UHFFFAOYSA-J
MW3737.37 g/mol
LogP70.22
Rot. Bonds64

About 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

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 (PubChem CID 164951842) has the molecular formula C266H300N8O8-4 and a molecular weight of 3737.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID164951842
Molecular FormulaC266H300N8O8-4
Molecular Weight3737.37 g/mol
Exact Mass3734.33
IUPAC Name2,4-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
SMILESCCCCC(=O)Nc1c(C2=C([O-])C(c3ccc4cc(N(c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)ccc4c3NC(=O)CCCC)=C2[O-])ccc2cc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)ccc12.CCCCC(CC)C(=O)Nc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2C)c2ccc(-c3ccccc3-c3ccccc3)cc2C)ccc1C1=C([O-])C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3C)c3ccc(-c4ccccc4-c4ccccc4)cc3C)cc2NC(=O)C(CC)CCCC)=C1[O-]
InChIInChI=1S/C158H204N4O4.C108H100N4O4/c1-39-57-59-123(163)159-139-107-71-67-105(161(119-73-63-101(77-95(119)19)125-131-111(151(41-3,42-4)87-143(131,23)24)83-112-132(125)144(25,26)88-152(112,43-5)44-6)120-74-64-102(78-96(120)20)126-133-113(153(45-7,46-8)89-145(133,27)28)84-114-134(126)146(29,30)90-154(114,47-9)48-10)81-99(107)61-69-109(139)129-141(165)130(142(129)166)110-70-62-100-82-106(68-72-108(100)140(110)160-124(164)60-58-40-2)162(121-75-65-103(79-97(121)21)127-135-115(155(49-11,50-12)91-147(135,31)32)85-116-136(127)148(33,34)92-156(116,51-13)52-14)122-76-66-104(80-98(122)22)128-137-117(157(53-15,54-16)93-149(137,35)36)86-118-138(128)150(37,38)94-158(118,55-17)56-18;1-9-13-35-75(11-3)107(115)109-97-69-85(111(99-61-53-81(65-71(99)5)91-49-31-27-45-87(91)77-37-19-15-20-38-77)100-62-54-82(66-72(100)6)92-50-32-28-46-88(92)78-39-21-16-22-40-78)57-59-95(97)103-105(113)104(106(103)114)96-60-58-86(70-98(96)110-108(116)76(12-4)36-14-10-2)112(101-63-55-83(67-73(101)7)93-51-33-29-47-89(93)79-41-23-17-24-42-79)102-64-56-84(68-74(102)8)94-52-34-30-48-90(94)80-43-25-18-26-44-80/h61-86,165-166H,39-60,87-94H2,1-38H3,(H,159,163)(H,160,164);15-34,37-70,75-76,113-114H,9-14,35-36H2,1-8H3,(H,109,115)(H,110,116)/p-4
InChIKeyAQCSJETVONROEU-UHFFFAOYSA-J
XLogP70.22
TPSA221.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds64
Heavy Atoms282
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003737.37
LogP ≤ 570.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
N-[2-[3-[4-[4-[2,6-bis(2-methylpropoxy)phenyl]-N-[4-[2,6-bis(2-methylpropoxy)phenyl]-2-methylphenyl]-2-methylanilino]-2-(2-ethylhexanoylamino)phenyl]-2,4-dihydroxycyclobuta-1,3-dien-1-yl]-5-[N-[4-[2,6-bis(2-methylpropoxy)phenyl]-2-methylphenyl]-4-[2-ethoxy-6-(2-methylpropoxy)phenyl]-2-methylanilino]phenyl]-2-ethylhexanamide
CID 164995772
2,4-bis[2-(2-ethylhexanoylamino)-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756152
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[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
4-[4-diphenylazaniumylidene-2-(2-ethylhexanoylamino)cyclohexa-2,5-dien-1-ylidene]-2-[2-(2-ethylhexanoylamino)-4-(N-phenylanilino)phenyl]-3-oxocyclobuten-1-olate
CID 137295886
[(4E)-3-(2-ethylhexanoylamino)-4-[3-[2-(2-ethylhexanoylamino)-4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(4-phenylphenyl)azanium
CID 134295491
[(4E)-4-[3-[4-(dinaphthalen-1-ylamino)-2-(2-ethylhexanoylamino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]-3-(2-ethylhexanoylamino)cyclohexa-2,5-dien-1-ylidene]-dinaphthalen-1-ylphosphanium
CID 137296013
[3-(2-ethylhexanoylamino)-4-[3-[2-(2-ethylhexanoylamino)-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,5-dien-1-ylidene]-bis(4-methylphenyl)azanium
CID 157290007
(2,4-dimethylphenyl)-[(4Z)-4-[3-[4-(N-(2,4-dimethylphenyl)-2,4-dimethylanilino)-2-(2-ethylhexanoylamino)phenyl]-2,4-dihydroxycyclobut-2-en-1-ylidene]-3-(2-ethylhexanoylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methylphenyl)azanium
CID 137295881
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
N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-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-dien-1-yl]-5-[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]methanesulfonamide
CID 164952813

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(=O)Nc1c(C2=C([O-])C(c3ccc4cc(N(c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)c5ccc(-c6c7c(cc8c6C(C)(C)CC8(CC)CC)C(CC)(CC)CC7(C)C)cc5C)ccc4c3NC(=O)CCCC)=C2[O-])ccc2cc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3C)ccc12.CCCCC(CC)C(=O)Nc1cc(N(c2ccc(-c3ccccc3-c3ccccc3)cc2C)c2ccc(-c3ccccc3-c3ccccc3)cc2C)ccc1C1=C([O-])C(c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3C)c3ccc(-c4ccccc4-c4ccccc4)cc3C)cc2NC(=O)C(CC)CCCC)=C1[O-].
What is the InChIKey of 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?
The InChIKey is AQCSJETVONROEU-UHFFFAOYSA-J. The full InChI is InChI=1S/C158H204N4O4.C108H100N4O4/c1-39-57-59-123(163)159-139-107-71-67-105(161(119-73-63-101(77-95(119)19)125-131-111(151(41-3,42-4)87-143(131,23)24)83-112-132(125)144(25,26)88-152(112,43-5)44-6)120-74-64-102(78-96(120)20)126-133-113(153(45-7,46-8)89-145(133,27)28)84-114-134(126)146(29,30)90-154(114,47-9)48-10)81-99(107)61-69-109(139)129-141(165)130(142(129)166)110-70-62-100-82-106(68-72-108(100)140(110)160-124(164)60-58-40-2)162(121-75-65-103(79-97(121)21)127-135-115(155(49-11,50-12)91-147(135,31)32)85-116-136(127)148(33,34)92-156(116,51-13)52-14)122-76-66-104(80-98(122)22)128-137-117(157(53-15,54-16)93-149(137,35)36)86-118-138(128)150(37,38)94-158(118,55-17)56-18;1-9-13-35-75(11-3)107(115)109-97-69-85(111(99-61-53-81(65-71(99)5)91-49-31-27-45-87(91)77-37-19-15-20-38-77)100-62-54-82(66-72(100)6)92-50-32-28-46-88(92)78-39-21-16-22-40-78)57-59-95(97)103-105(113)104(106(103)114)96-60-58-86(70-98(96)110-108(116)76(12-4)36-14-10-2)112(101-63-55-83(67-73(101)7)93-51-33-29-47-89(93)79-41-23-17-24-42-79)102-64-56-84(68-74(102)8)94-52-34-30-48-90(94)80-43-25-18-26-44-80/h61-86,165-166H,39-60,87-94H2,1-38H3,(H,159,163)(H,160,164);15-34,37-70,75-76,113-114H,9-14,35-36H2,1-8H3,(H,109,115)(H,110,116)/p-4.
What are the key properties of 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?
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 has a molecular weight of 3737.37 g/mol, XLogP of 70.22, 64 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164951842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).