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

C168H240N2O6-2 — CID 164756103

IUPAC2,4-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
SMILESCCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3cc(O)c(C4C([O-])C(c5c(O)cc(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)cc5O)C4[O-])c(O)c3)cc2)C(C)(C)CC1(CCCC)CCCC
InChIInChI=1S/C168H240N2O6/c1-33-49-81-161(82-50-34-2)105-153(17,18)143-123(161)101-124-144(154(19,20)106-162(124,83-51-35-3)84-52-36-4)135(143)113-65-73-117(74-66-113)169(118-75-67-114(68-76-118)136-145-125(163(85-53-37-5,86-54-38-6)107-155(145,21)22)102-126-146(136)156(23,24)108-164(126,87-55-39-7)88-56-40-8)121-97-131(171)139(132(172)98-121)141-151(175)142(152(141)176)140-133(173)99-122(100-134(140)174)170(119-77-69-115(70-78-119)137-147-127(165(89-57-41-9,90-58-42-10)109-157(147,25)26)103-128-148(137)158(27,28)110-166(128,91-59-43-11)92-60-44-12)120-79-71-116(72-80-120)138-149-129(167(93-61-45-13,94-62-46-14)111-159(149,29)30)104-130-150(138)160(31,32)112-168(130,95-63-47-15)96-64-48-16/h65-80,97-104,141-142,151-152,171-174H,33-64,81-96,105-112H2,1-32H3/q-2
InChIKeyUSUKGOOFHUTIFK-UHFFFAOYSA-N
MW2383.78 g/mol
LogP47.85
Rot. Bonds60

About 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

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 (PubChem CID 164756103) has the molecular formula C168H240N2O6-2 and a molecular weight of 2383.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID164756103
Molecular FormulaC168H240N2O6-2
Molecular Weight2383.78 g/mol
Exact Mass2381.85
IUPAC Name2,4-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
SMILESCCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3cc(O)c(C4C([O-])C(c5c(O)cc(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)cc5O)C4[O-])c(O)c3)cc2)C(C)(C)CC1(CCCC)CCCC
InChIInChI=1S/C168H240N2O6/c1-33-49-81-161(82-50-34-2)105-153(17,18)143-123(161)101-124-144(154(19,20)106-162(124,83-51-35-3)84-52-36-4)135(143)113-65-73-117(74-66-113)169(118-75-67-114(68-76-118)136-145-125(163(85-53-37-5,86-54-38-6)107-155(145,21)22)102-126-146(136)156(23,24)108-164(126,87-55-39-7)88-56-40-8)121-97-131(171)139(132(172)98-121)141-151(175)142(152(141)176)140-133(173)99-122(100-134(140)174)170(119-77-69-115(70-78-119)137-147-127(165(89-57-41-9,90-58-42-10)109-157(147,25)26)103-128-148(137)158(27,28)110-166(128,91-59-43-11)92-60-44-12)120-79-71-116(72-80-120)138-149-129(167(93-61-45-13,94-62-46-14)111-159(149,29)30)104-130-150(138)160(31,32)112-168(130,95-63-47-15)96-64-48-16/h65-80,97-104,141-142,151-152,171-174H,33-64,81-96,105-112H2,1-32H3/q-2
InChIKeyUSUKGOOFHUTIFK-UHFFFAOYSA-N
XLogP47.85
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds60
Heavy Atoms176
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002383.78
LogP ≤ 547.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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[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
(2R)-2,4-bis[4-[4-[8-(4-butylphenyl)-1,1,3,3,5,5,7,7-octamethyl-2,6-dihydro-s-indacen-4-yl]-N-[4-[8-(4-butylphenyl)-1,1,3,3,5,5,7,7-octamethyl-2,6-dihydro-s-indacen-4-yl]phenyl]anilino]-2-hydroxyphenyl]-3-hydroxycyclobutan-1-olate
CID 163772736
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-[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[2,6-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
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-(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-[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-N,2-N,8-N,8-N-tetrakis[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene-2,8-diamine
CID 164756206
4-N,9-N-bis[3-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]-4-N,9-N-bis[3-(1,1,7,7-tetrabutyl-3,5,5-trimethyl-3,6-dihydro-2H-s-indacen-4-yl)phenyl]-[1,2,5]thiadiazolo[3,4-g]quinoxaline-4,9-diamine
CID 164791446

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC1(CCCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCCC)CCCC)C(CCCC)(CCCC)CC5(C)C)cc3)c3cc(O)c(C4C([O-])C(c5c(O)cc(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)cc5O)C4[O-])c(O)c3)cc2)C(C)(C)CC1(CCCC)CCCC.
What is the InChIKey of 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?
The InChIKey is USUKGOOFHUTIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H240N2O6/c1-33-49-81-161(82-50-34-2)105-153(17,18)143-123(161)101-124-144(154(19,20)106-162(124,83-51-35-3)84-52-36-4)135(143)113-65-73-117(74-66-113)169(118-75-67-114(68-76-118)136-145-125(163(85-53-37-5,86-54-38-6)107-155(145,21)22)102-126-146(136)156(23,24)108-164(126,87-55-39-7)88-56-40-8)121-97-131(171)139(132(172)98-121)141-151(175)142(152(141)176)140-133(173)99-122(100-134(140)174)170(119-77-69-115(70-78-119)137-147-127(165(89-57-41-9,90-58-42-10)109-157(147,25)26)103-128-148(137)158(27,28)110-166(128,91-59-43-11)92-60-44-12)120-79-71-116(72-80-120)138-149-129(167(93-61-45-13,94-62-46-14)111-159(149,29)30)104-130-150(138)160(31,32)112-168(130,95-63-47-15)96-64-48-16/h65-80,97-104,141-142,151-152,171-174H,33-64,81-96,105-112H2,1-32H3/q-2.
What are the key properties of 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?
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 has a molecular weight of 2383.78 g/mol, XLogP of 47.85, 60 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164756103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).