2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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

C312H420N4O8-4 — CID 165056773

IUPAC2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5OC)=C4[O-])c(CO)c3)cc2)C(C)(C)CC1(CCC)CCC.CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc3c(c2)C(C)(C)c2cc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)ccc2N3c2ccc(C3=C([O-])C(c4ccc(N5c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6C(C)(C)c6cc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)ccc65)cc4O)=C3[O-])c(O)c2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C158H214N2O4.C154H210N2O4/c1-37-65-151(66-38-2)91-141(17,18)131-111(151)87-112-132(142(19,20)92-152(112,67-39-3)68-40-4)125(131)99-53-61-119-107(81-99)149(33,34)108-82-100(126-133-113(153(69-41-5,70-42-6)93-143(133,21)22)88-114-134(126)144(23,24)94-154(114,71-43-7)72-44-8)54-62-120(108)159(119)103-57-59-105(123(161)85-103)129-139(163)130(140(129)164)106-60-58-104(86-124(106)162)160-121-63-55-101(127-135-115(155(73-45-9,74-46-10)95-145(135,25)26)89-116-136(127)146(27,28)96-156(116,75-47-11)76-48-12)83-109(121)150(35,36)110-84-102(56-64-122(110)160)128-137-117(157(77-49-13,78-50-14)97-147(137,29)30)90-118-138(128)148(31,32)98-158(118,79-51-15)80-52-16;1-34-70-147(71-35-2)93-139(17,18)129-114(147)88-115-130(140(19,20)94-148(115,72-36-3)73-37-4)123(129)101-50-58-106(59-51-101)155(107-60-52-102(53-61-107)124-131-116(149(74-38-5,75-39-6)95-141(131,21)22)89-117-132(124)142(23,24)96-150(117,76-40-7)77-41-8)110-66-68-112(105(86-110)92-157)127-137(158)128(138(127)159)113-69-67-111(87-122(113)160-33)156(108-62-54-103(55-63-108)125-133-118(151(78-42-9,79-43-10)97-143(133,25)26)90-119-134(125)144(27,28)98-152(119,80-44-11)81-45-12)109-64-56-104(57-65-109)126-135-120(153(82-46-13,83-47-14)99-145(135,29)30)91-121-136(126)146(31,32)100-154(121,84-48-15)85-49-16/h53-64,81-90,161-164H,37-52,65-80,91-98H2,1-36H3;50-69,86-91,157-159H,34-49,70-85,92-100H2,1-33H3/p-4
InChIKeyQOBJSRUBLSOINT-UHFFFAOYSA-J
MW4354.81 g/mol
LogP86.80
Rot. Bonds86

About 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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

2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 (PubChem CID 165056773) has the molecular formula C312H420N4O8-4 and a molecular weight of 4354.81 g/mol. Its IUPAC name is 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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.

Molecular Properties

Compound Name2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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
PubChem CID165056773
Molecular FormulaC312H420N4O8-4
Molecular Weight4354.81 g/mol
Exact Mass4351.26
IUPAC Name2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5OC)=C4[O-])c(CO)c3)cc2)C(C)(C)CC1(CCC)CCC.CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc3c(c2)C(C)(C)c2cc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)ccc2N3c2ccc(C3=C([O-])C(c4ccc(N5c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6C(C)(C)c6cc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)ccc65)cc4O)=C3[O-])c(O)c2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C158H214N2O4.C154H210N2O4/c1-37-65-151(66-38-2)91-141(17,18)131-111(151)87-112-132(142(19,20)92-152(112,67-39-3)68-40-4)125(131)99-53-61-119-107(81-99)149(33,34)108-82-100(126-133-113(153(69-41-5,70-42-6)93-143(133,21)22)88-114-134(126)144(23,24)94-154(114,71-43-7)72-44-8)54-62-120(108)159(119)103-57-59-105(123(161)85-103)129-139(163)130(140(129)164)106-60-58-104(86-124(106)162)160-121-63-55-101(127-135-115(155(73-45-9,74-46-10)95-145(135,25)26)89-116-136(127)146(27,28)96-156(116,75-47-11)76-48-12)83-109(121)150(35,36)110-84-102(56-64-122(110)160)128-137-117(157(77-49-13,78-50-14)97-147(137,29)30)90-118-138(128)148(31,32)98-158(118,79-51-15)80-52-16;1-34-70-147(71-35-2)93-139(17,18)129-114(147)88-115-130(140(19,20)94-148(115,72-36-3)73-37-4)123(129)101-50-58-106(59-51-101)155(107-60-52-102(53-61-107)124-131-116(149(74-38-5,75-39-6)95-141(131,21)22)89-117-132(124)142(23,24)96-150(117,76-40-7)77-41-8)110-66-68-112(105(86-110)92-157)127-137(158)128(138(127)159)113-69-67-111(87-122(113)160-33)156(108-62-54-103(55-63-108)125-133-118(151(78-42-9,79-43-10)97-143(133,25)26)90-119-134(125)144(27,28)98-152(119,80-44-11)81-45-12)109-64-56-104(57-65-109)126-135-120(153(82-46-13,83-47-14)99-145(135,29)30)91-121-136(126)146(31,32)100-154(121,84-48-15)85-49-16/h53-64,81-90,161-164H,37-52,65-80,91-98H2,1-36H3;50-69,86-91,157-159H,34-49,70-85,92-100H2,1-33H3/p-4
InChIKeyQOBJSRUBLSOINT-UHFFFAOYSA-J
XLogP86.80
TPSA175.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds86
Heavy Atoms324
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004354.81
LogP ≤ 586.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 with MolForge

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Related Compounds

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-(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
2,4-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
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[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-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-[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-[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-bis[2-(diethoxyphosphorylamino)-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-diol
CID 164756149
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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?
The IUPAC name of 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 165056773) is 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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.
What is the SMILES notation for 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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?
The canonical SMILES for 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 is CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc(C4=C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6)cc5OC)=C4[O-])c(CO)c3)cc2)C(C)(C)CC1(CCC)CCC.CCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc3c(c2)C(C)(C)c2cc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)ccc2N3c2ccc(C3=C([O-])C(c4ccc(N5c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)cc6C(C)(C)c6cc(-c7c8c(cc9c7C(C)(C)CC9(CCC)CCC)C(CCC)(CCC)CC8(C)C)ccc65)cc4O)=C3[O-])c(O)c2)C(C)(C)CC1(CCC)CCC.
What is the InChIKey of 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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?
The InChIKey is QOBJSRUBLSOINT-UHFFFAOYSA-J. The full InChI is InChI=1S/C158H214N2O4.C154H210N2O4/c1-37-65-151(66-38-2)91-141(17,18)131-111(151)87-112-132(142(19,20)92-152(112,67-39-3)68-40-4)125(131)99-53-61-119-107(81-99)149(33,34)108-82-100(126-133-113(153(69-41-5,70-42-6)93-143(133,21)22)88-114-134(126)144(23,24)94-154(114,71-43-7)72-44-8)54-62-120(108)159(119)103-57-59-105(123(161)85-103)129-139(163)130(140(129)164)106-60-58-104(86-124(106)162)160-121-63-55-101(127-135-115(155(73-45-9,74-46-10)95-145(135,25)26)89-116-136(127)146(27,28)96-156(116,75-47-11)76-48-12)83-109(121)150(35,36)110-84-102(56-64-122(110)160)128-137-117(157(77-49-13,78-50-14)97-147(137,29)30)90-118-138(128)148(31,32)98-158(118,79-51-15)80-52-16;1-34-70-147(71-35-2)93-139(17,18)129-114(147)88-115-130(140(19,20)94-148(115,72-36-3)73-37-4)123(129)101-50-58-106(59-51-101)155(107-60-52-102(53-61-107)124-131-116(149(74-38-5,75-39-6)95-141(131,21)22)89-117-132(124)142(23,24)96-150(117,76-40-7)77-41-8)110-66-68-112(105(86-110)92-157)127-137(158)128(138(127)159)113-69-67-111(87-122(113)160-33)156(108-62-54-103(55-63-108)125-133-118(151(78-42-9,79-43-10)97-143(133,25)26)90-119-134(125)144(27,28)98-152(119,80-44-11)81-45-12)109-64-56-104(57-65-109)126-135-120(153(82-46-13,83-47-14)99-145(135,29)30)91-121-136(126)146(31,32)100-154(121,84-48-15)85-49-16/h53-64,81-90,161-164H,37-52,65-80,91-98H2,1-36H3;50-69,86-91,157-159H,34-49,70-85,92-100H2,1-33H3/p-4.
What are the key properties of 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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?
2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 has a molecular weight of 4354.81 g/mol, XLogP of 86.80, 86 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-[9,9-dimethyl-2,7-bis(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)acridin-10-yl]-2-hydroxyphenyl]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 is sourced from PubChem (CID 165056773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).