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

C160H212N2O4-2 — CID 164756047

IUPAC2,4-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
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc4c(O)c(C5C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)ccc7c6O)C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C160H212N2O4/c1-33-73-153(74-34-2)95-145(17,18)133-119(153)91-120-134(146(19,20)96-154(120,75-35-3)76-36-4)127(133)103-49-59-109(60-50-103)161(110-61-51-104(52-62-110)128-135-121(155(77-37-5,78-38-6)97-147(135,21)22)92-122-136(128)148(23,24)98-156(122,79-39-7)80-40-8)113-67-71-115-107(89-113)57-69-117(141(115)163)131-143(165)132(144(131)166)118-70-58-108-90-114(68-72-116(108)142(118)164)162(111-63-53-105(54-64-111)129-137-123(157(81-41-9,82-42-10)99-149(137,25)26)93-124-138(129)150(27,28)100-158(124,83-43-11)84-44-12)112-65-55-106(56-66-112)130-139-125(159(85-45-13,86-46-14)101-151(139,29)30)94-126-140(130)152(31,32)102-160(126,87-47-15)88-48-16/h49-72,89-94,131-132,143-144,163-164H,33-48,73-88,95-102H2,1-32H3/q-2
InChIKeyPIOBXFQZOIRHJU-UHFFFAOYSA-N
MW2227.47 g/mol
LogP44.51
Rot. Bonds44

About 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

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 (PubChem CID 164756047) has the molecular formula C160H212N2O4-2 and a molecular weight of 2227.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID164756047
Molecular FormulaC160H212N2O4-2
Molecular Weight2227.47 g/mol
Exact Mass2225.65
IUPAC Name2,4-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
SMILESCCCC1(CCC)CC(C)(C)c2c1cc1c(c2-c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CCC)CCC)C(CCC)(CCC)CC5(C)C)cc3)c3ccc4c(O)c(C5C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)ccc7c6O)C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCC)CCC
InChIInChI=1S/C160H212N2O4/c1-33-73-153(74-34-2)95-145(17,18)133-119(153)91-120-134(146(19,20)96-154(120,75-35-3)76-36-4)127(133)103-49-59-109(60-50-103)161(110-61-51-104(52-62-110)128-135-121(155(77-37-5,78-38-6)97-147(135,21)22)92-122-136(128)148(23,24)98-156(122,79-39-7)80-40-8)113-67-71-115-107(89-113)57-69-117(141(115)163)131-143(165)132(144(131)166)118-70-58-108-90-114(68-72-116(108)142(118)164)162(111-63-53-105(54-64-111)129-137-123(157(81-41-9,82-42-10)99-149(137,25)26)93-124-138(129)150(27,28)100-158(124,83-43-11)84-44-12)112-65-55-106(56-66-112)130-139-125(159(85-45-13,86-46-14)101-151(139,29)30)94-126-140(130)152(31,32)102-160(126,87-47-15)88-48-16/h49-72,89-94,131-132,143-144,163-164H,33-48,73-88,95-102H2,1-32H3/q-2
InChIKeyPIOBXFQZOIRHJU-UHFFFAOYSA-N
XLogP44.51
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds44
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002227.47
LogP ≤ 544.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[6-[N-[4-(1-ethyl-3,3,5,5-tetramethyl-1,7,7-tripropyl-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-hydroxynaphthalen-2-yl]-4-[1-hydroxy-6-[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]naphthalen-2-yl]cyclobutane-1,3-diol
CID 164791451
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-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-[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
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[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
(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-[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
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[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c3ccc4c(O)c(C5C([O-])C(c6ccc7cc(N(c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)c8ccc(-c9c%10c(cc%11c9C(C)(C)CC%11(CCC)CCC)C(CCC)(CCC)CC%10(C)C)cc8)ccc7c6O)C5[O-])ccc4c3)cc2)C(C)(C)CC1(CCC)CCC.
What is the InChIKey of 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?
The InChIKey is PIOBXFQZOIRHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H212N2O4/c1-33-73-153(74-34-2)95-145(17,18)133-119(153)91-120-134(146(19,20)96-154(120,75-35-3)76-36-4)127(133)103-49-59-109(60-50-103)161(110-61-51-104(52-62-110)128-135-121(155(77-37-5,78-38-6)97-147(135,21)22)92-122-136(128)148(23,24)98-156(122,79-39-7)80-40-8)113-67-71-115-107(89-113)57-69-117(141(115)163)131-143(165)132(144(131)166)118-70-58-108-90-114(68-72-116(108)142(118)164)162(111-63-53-105(54-64-111)129-137-123(157(81-41-9,82-42-10)99-149(137,25)26)93-124-138(129)150(27,28)100-158(124,83-43-11)84-44-12)112-65-55-106(56-66-112)130-139-125(159(85-45-13,86-46-14)101-151(139,29)30)94-126-140(130)152(31,32)102-160(126,87-47-15)88-48-16/h49-72,89-94,131-132,143-144,163-164H,33-48,73-88,95-102H2,1-32H3/q-2.
What are the key properties of 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?
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 has a molecular weight of 2227.47 g/mol, XLogP of 44.51, 44 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164756047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).