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

C108H128N2O4-2 — CID 163948876

IUPAC2-[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
SMILESCCCC1(CCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCC)CCC)cc4)c4ccc(C5C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCC)CCC)cc7)c7ccc(-c8cccc9c8C(CCC)(CCC)CC9(C)C)cc7)cc6O)C5[O-])c(O)c4)cc3)cccc21
InChIInChI=1S/C108H128N2O4/c1-17-57-105(58-18-2)68-102(11,12)95-81(29-26-34-88(95)105)71-37-45-75(46-38-71)109(76-47-39-72(40-48-76)82-30-27-35-89-96(82)103(13,14)69-106(89,59-19-3)60-20-4)79-53-55-85(91(111)65-79)93-99(113)94(100(93)114)86-56-54-80(66-92(86)112)110(77-49-41-73(42-50-77)83-31-28-36-90-97(83)104(15,16)70-107(90,61-21-5)62-22-6)78-51-43-74(44-52-78)84-32-25-33-87-98(84)108(63-23-7,64-24-8)67-101(87,9)10/h25-56,65-66,93-94,99-100,111-112H,17-24,57-64,67-70H2,1-16H3/q-2
InChIKeyRXOBGIRJXYXKPA-UHFFFAOYSA-N
MW1518.22 g/mol
LogP28.12
Rot. Bonds28

About 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

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 (PubChem CID 163948876) has the molecular formula C108H128N2O4-2 and a molecular weight of 1518.22 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163948876
Molecular FormulaC108H128N2O4-2
Molecular Weight1518.22 g/mol
Exact Mass1516.99
IUPAC Name2-[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
SMILESCCCC1(CCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCC)CCC)cc4)c4ccc(C5C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCC)CCC)cc7)c7ccc(-c8cccc9c8C(CCC)(CCC)CC9(C)C)cc7)cc6O)C5[O-])c(O)c4)cc3)cccc21
InChIInChI=1S/C108H128N2O4/c1-17-57-105(58-18-2)68-102(11,12)95-81(29-26-34-88(95)105)71-37-45-75(46-38-71)109(76-47-39-72(40-48-76)82-30-27-35-89-96(82)103(13,14)69-106(89,59-19-3)60-20-4)79-53-55-85(91(111)65-79)93-99(113)94(100(93)114)86-56-54-80(66-92(86)112)110(77-49-41-73(42-50-77)83-31-28-36-90-97(83)104(15,16)70-107(90,61-21-5)62-22-6)78-51-43-74(44-52-78)84-32-25-33-87-98(84)108(63-23-7,64-24-8)67-101(87,9)10/h25-56,65-66,93-94,99-100,111-112H,17-24,57-64,67-70H2,1-16H3/q-2
InChIKeyRXOBGIRJXYXKPA-UHFFFAOYSA-N
XLogP28.12
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001518.22
LogP ≤ 528.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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[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[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[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
(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-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[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
CID 177412276
CID 177412276
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-(2-ethylhexanoylamino)-4-[4-(2-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756152
2,4-bis[4-[4-(2-methylphenyl)-N-[4-(2-methylphenyl)phenyl]anilino]anthracen-1-yl]cyclobutane-1,3-diolate
CID 164756143

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1(CCC)CC(C)(C)c2c(-c3ccc(N(c4ccc(-c5cccc6c5C(C)(C)CC6(CCC)CCC)cc4)c4ccc(C5C([O-])C(c6ccc(N(c7ccc(-c8cccc9c8C(C)(C)CC9(CCC)CCC)cc7)c7ccc(-c8cccc9c8C(CCC)(CCC)CC9(C)C)cc7)cc6O)C5[O-])c(O)c4)cc3)cccc21.
What is the InChIKey of 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?
The InChIKey is RXOBGIRJXYXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H128N2O4/c1-17-57-105(58-18-2)68-102(11,12)95-81(29-26-34-88(95)105)71-37-45-75(46-38-71)109(76-47-39-72(40-48-76)82-30-27-35-89-96(82)103(13,14)69-106(89,59-19-3)60-20-4)79-53-55-85(91(111)65-79)93-99(113)94(100(93)114)86-56-54-80(66-92(86)112)110(77-49-41-73(42-50-77)83-31-28-36-90-97(83)104(15,16)70-107(90,61-21-5)62-22-6)78-51-43-74(44-52-78)84-32-25-33-87-98(84)108(63-23-7,64-24-8)67-101(87,9)10/h25-56,65-66,93-94,99-100,111-112H,17-24,57-64,67-70H2,1-16H3/q-2.
What are the key properties of 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?
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 has a molecular weight of 1518.22 g/mol, XLogP of 28.12, 28 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163948876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).