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

C292H380N4O6-4 — CID 164979296

IUPAC2,4-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
SMILESCCCCC1(CCCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCCC)CCCC)cc4)c4ccc(C5=C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCCC)CCCC)cc7)c7ccc(-c8cccc9c8C(CCCC)(CCCC)CC9(C)C)cc7)cc6O)=C5[O-])c(O)c4)cc3)cccc21.CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccccc56)=C4[O-])c4ccccc34)cc2)C(C)(C)CC1(CCCC)CCCC
InChIInChI=1S/C176H242N2O2.C116H142N2O4/c1-33-49-93-169(94-50-34-2)113-161(17,18)151-135(169)109-136-152(162(19,20)114-170(136,95-51-35-3)96-52-36-4)145(151)121-73-81-125(82-74-121)177(126-83-75-122(76-84-126)146-153-137(171(97-53-37-5,98-54-38-6)115-163(153,21)22)110-138-154(146)164(23,24)116-172(138,99-55-39-7)100-56-40-8)143-91-89-133(129-69-65-67-71-131(129)143)149-159(179)150(160(149)180)134-90-92-144(132-72-68-66-70-130(132)134)178(127-85-77-123(78-86-127)147-155-139(173(101-57-41-9,102-58-42-10)117-165(155,25)26)111-140-156(147)166(27,28)118-174(140,103-59-43-11)104-60-44-12)128-87-79-124(80-88-128)148-157-141(175(105-61-45-13,106-62-46-14)119-167(157,29)30)112-142-158(148)168(31,32)120-176(142,107-63-47-15)108-64-48-16;1-17-25-65-113(66-26-18-2)76-110(11,12)103-89(37-34-42-96(103)113)79-45-53-83(54-46-79)117(84-55-47-80(48-56-84)90-38-35-43-97-104(90)111(13,14)77-114(97,67-27-19-3)68-28-20-4)87-61-63-93(99(119)73-87)101-107(121)102(108(101)122)94-64-62-88(74-100(94)120)118(85-57-49-81(50-58-85)91-39-36-44-98-105(91)112(15,16)78-115(98,69-29-21-5)70-30-22-6)86-59-51-82(52-60-86)92-40-33-41-95-106(92)116(71-31-23-7,72-32-24-8)75-109(95,9)10/h65-92,109-112,179-180H,33-64,93-108,113-120H2,1-32H3;33-64,73-74,119-122H,17-32,65-72,75-78H2,1-16H3/p-4
InChIKeyFFYFRFWIRTVZEL-UHFFFAOYSA-J
MW4042.27 g/mol
LogP83.61
Rot. Bonds96

About 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

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 (PubChem CID 164979296) has the molecular formula C292H380N4O6-4 and a molecular weight of 4042.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID164979296
Molecular FormulaC292H380N4O6-4
Molecular Weight4042.27 g/mol
Exact Mass4038.96
IUPAC Name2,4-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
SMILESCCCCC1(CCCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCCC)CCCC)cc4)c4ccc(C5=C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCCC)CCCC)cc7)c7ccc(-c8cccc9c8C(CCCC)(CCCC)CC9(C)C)cc7)cc6O)=C5[O-])c(O)c4)cc3)cccc21.CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccccc56)=C4[O-])c4ccccc34)cc2)C(C)(C)CC1(CCCC)CCCC
InChIInChI=1S/C176H242N2O2.C116H142N2O4/c1-33-49-93-169(94-50-34-2)113-161(17,18)151-135(169)109-136-152(162(19,20)114-170(136,95-51-35-3)96-52-36-4)145(151)121-73-81-125(82-74-121)177(126-83-75-122(76-84-126)146-153-137(171(97-53-37-5,98-54-38-6)115-163(153,21)22)110-138-154(146)164(23,24)116-172(138,99-55-39-7)100-56-40-8)143-91-89-133(129-69-65-67-71-131(129)143)149-159(179)150(160(149)180)134-90-92-144(132-72-68-66-70-130(132)134)178(127-85-77-123(78-86-127)147-155-139(173(101-57-41-9,102-58-42-10)117-165(155,25)26)111-140-156(147)166(27,28)118-174(140,103-59-43-11)104-60-44-12)128-87-79-124(80-88-128)148-157-141(175(105-61-45-13,106-62-46-14)119-167(157,29)30)112-142-158(148)168(31,32)120-176(142,107-63-47-15)108-64-48-16;1-17-25-65-113(66-26-18-2)76-110(11,12)103-89(37-34-42-96(103)113)79-45-53-83(54-46-79)117(84-55-47-80(48-56-84)90-38-35-43-97-104(90)111(13,14)77-114(97,67-27-19-3)68-28-20-4)87-61-63-93(99(119)73-87)101-107(121)102(108(101)122)94-64-62-88(74-100(94)120)118(85-57-49-81(50-58-85)91-39-36-44-98-105(91)112(15,16)78-115(98,69-29-21-5)70-30-22-6)86-59-51-82(52-60-86)92-40-33-41-95-106(92)116(71-31-23-7,72-32-24-8)75-109(95,9)10/h65-92,109-112,179-180H,33-64,93-108,113-120H2,1-32H3;33-64,73-74,119-122H,17-32,65-72,75-78H2,1-16H3/p-4
InChIKeyFFYFRFWIRTVZEL-UHFFFAOYSA-J
XLogP83.61
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds96
Heavy Atoms302
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004042.27
LogP ≤ 583.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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[2,6-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
2-[4-[4-(1,1-dimethyl-3,3-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]-4-[4-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]cyclobutane-1,3-diolate
CID 163948876
2-[4-[4-(1,1-dimethyl-3,3-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]-4-[4-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]cyclobutane-1,3-diol
CID 163948877
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[4-[4-(2,6-diphenylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]anilino]-2-hydroxyphenyl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[2-hydroxy-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
CID 165073056
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-[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
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]cyclobutane-1,3-diolate
CID 164756047
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
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-(9,9-dimethylfluoren-2-yl)-1',1',3,3-tetramethyl-N-(4-naphthalen-1-ylphenyl)-1,3'-spirobi[2H-indene]-4-amine
CID 178036936

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1(CCCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCCC)CCCC)cc4)c4ccc(C5=C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCCC)CCCC)cc7)c7ccc(-c8cccc9c8C(CCCC)(CCCC)CC9(C)C)cc7)cc6O)=C5[O-])c(O)c4)cc3)cccc21.CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCCC)CCCC)C(CCCC)(CCCC)CC8(C)C)cc6)c6ccccc56)=C4[O-])c4ccccc34)cc2)C(C)(C)CC1(CCCC)CCCC.
What is the InChIKey of 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?
The InChIKey is FFYFRFWIRTVZEL-UHFFFAOYSA-J. The full InChI is InChI=1S/C176H242N2O2.C116H142N2O4/c1-33-49-93-169(94-50-34-2)113-161(17,18)151-135(169)109-136-152(162(19,20)114-170(136,95-51-35-3)96-52-36-4)145(151)121-73-81-125(82-74-121)177(126-83-75-122(76-84-126)146-153-137(171(97-53-37-5,98-54-38-6)115-163(153,21)22)110-138-154(146)164(23,24)116-172(138,99-55-39-7)100-56-40-8)143-91-89-133(129-69-65-67-71-131(129)143)149-159(179)150(160(149)180)134-90-92-144(132-72-68-66-70-130(132)134)178(127-85-77-123(78-86-127)147-155-139(173(101-57-41-9,102-58-42-10)117-165(155,25)26)111-140-156(147)166(27,28)118-174(140,103-59-43-11)104-60-44-12)128-87-79-124(80-88-128)148-157-141(175(105-61-45-13,106-62-46-14)119-167(157,29)30)112-142-158(148)168(31,32)120-176(142,107-63-47-15)108-64-48-16;1-17-25-65-113(66-26-18-2)76-110(11,12)103-89(37-34-42-96(103)113)79-45-53-83(54-46-79)117(84-55-47-80(48-56-84)90-38-35-43-97-104(90)111(13,14)77-114(97,67-27-19-3)68-28-20-4)87-61-63-93(99(119)73-87)101-107(121)102(108(101)122)94-64-62-88(74-100(94)120)118(85-57-49-81(50-58-85)91-39-36-44-98-105(91)112(15,16)78-115(98,69-29-21-5)70-30-22-6)86-59-51-82(52-60-86)92-40-33-41-95-106(92)116(71-31-23-7,72-32-24-8)75-109(95,9)10/h65-92,109-112,179-180H,33-64,93-108,113-120H2,1-32H3;33-64,73-74,119-122H,17-32,65-72,75-78H2,1-16H3/p-4.
What are the key properties of 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?
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 has a molecular weight of 4042.27 g/mol, XLogP of 83.61, 96 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164979296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).