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

C136H176N2O2-2 — CID 164756189

IUPAC2,4-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
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc(C4C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)cc5)C4[O-])cc3)cc2)C(C)(C)CC1(CC)CC
InChIInChI=1S/C136H176N2O2/c1-33-129(34-2)77-121(17,18)111-97(129)73-98-112(122(19,20)78-130(98,35-3)36-4)105(111)85-49-61-91(62-50-85)137(92-63-51-86(52-64-92)106-113-99(131(37-5,38-6)79-123(113,21)22)74-100-114(106)124(23,24)80-132(100,39-7)40-8)95-69-57-89(58-70-95)109-119(139)110(120(109)140)90-59-71-96(72-60-90)138(93-65-53-87(54-66-93)107-115-101(133(41-9,42-10)81-125(115,25)26)75-102-116(107)126(27,28)82-134(102,43-11)44-12)94-67-55-88(56-68-94)108-117-103(135(45-13,46-14)83-127(117,29)30)76-104-118(108)128(31,32)84-136(104,47-15)48-16/h49-76,109-110,119-120H,33-48,77-84H2,1-32H3/q-2
InChIKeyGJZGNYJNNXGPHQ-UHFFFAOYSA-N
MW1870.92 g/mol
LogP36.55
Rot. Bonds28

About 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

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 (PubChem CID 164756189) has the molecular formula C136H176N2O2-2 and a molecular weight of 1870.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID164756189
Molecular FormulaC136H176N2O2-2
Molecular Weight1870.92 g/mol
Exact Mass1869.37
IUPAC Name2,4-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
SMILESCCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc(C4C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)cc5)C4[O-])cc3)cc2)C(C)(C)CC1(CC)CC
InChIInChI=1S/C136H176N2O2/c1-33-129(34-2)77-121(17,18)111-97(129)73-98-112(122(19,20)78-130(98,35-3)36-4)105(111)85-49-61-91(62-50-85)137(92-63-51-86(52-64-92)106-113-99(131(37-5,38-6)79-123(113,21)22)74-100-114(106)124(23,24)80-132(100,39-7)40-8)95-69-57-89(58-70-95)109-119(139)110(120(109)140)90-59-71-96(72-60-90)138(93-65-53-87(54-66-93)107-115-101(133(41-9,42-10)81-125(115,25)26)75-102-116(107)126(27,28)82-134(102,43-11)44-12)94-67-55-88(56-68-94)108-117-103(135(45-13,46-14)83-127(117,29)30)76-104-118(108)128(31,32)84-136(104,47-15)48-16/h49-76,109-110,119-120H,33-48,77-84H2,1-32H3/q-2
InChIKeyGJZGNYJNNXGPHQ-UHFFFAOYSA-N
XLogP36.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001870.92
LogP ≤ 536.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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-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
(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
1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4-thiolate
CID 102477634
1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
CID 132596556
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
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[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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(CC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc(C4C([O-])C(c5ccc(N(c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)c6ccc(-c7c8c(cc9c7C(C)(C)CC9(CC)CC)C(CC)(CC)CC8(C)C)cc6)cc5)C4[O-])cc3)cc2)C(C)(C)CC1(CC)CC.
What is the InChIKey of 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?
The InChIKey is GJZGNYJNNXGPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H176N2O2/c1-33-129(34-2)77-121(17,18)111-97(129)73-98-112(122(19,20)78-130(98,35-3)36-4)105(111)85-49-61-91(62-50-85)137(92-63-51-86(52-64-92)106-113-99(131(37-5,38-6)79-123(113,21)22)74-100-114(106)124(23,24)80-132(100,39-7)40-8)95-69-57-89(58-70-95)109-119(139)110(120(109)140)90-59-71-96(72-60-90)138(93-65-53-87(54-66-93)107-115-101(133(41-9,42-10)81-125(115,25)26)75-102-116(107)126(27,28)82-134(102,43-11)44-12)94-67-55-88(56-68-94)108-117-103(135(45-13,46-14)83-127(117,29)30)76-104-118(108)128(31,32)84-136(104,47-15)48-16/h49-76,109-110,119-120H,33-48,77-84H2,1-32H3/q-2.
What are the key properties of 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?
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 has a molecular weight of 1870.92 g/mol, XLogP of 36.55, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164756189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).