[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate

C150H171Br3O12 — CID 101022569

IUPAC[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate
SMILESCC(=O)Oc1c(C(C)(C)C)cc(-c2ccc(/C=C/c3cc(-c4cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c4)ccc3/C=C/c3cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)c3)c(Br)c2)cc1C(C)(C)C
InChIInChI=1S/C150H171Br3O12/c1-88(154)160-133-118(139(7,8)9)73-112(74-119(133)140(10,11)12)106-58-49-97(103(70-106)61-52-100-55-64-109(85-130(100)151)115-79-124(145(25,26)27)136(163-91(4)157)125(80-115)146(28,29)30)46-43-94-67-95(44-47-98-50-59-107(113-75-120(141(13,14)15)134(161-89(2)155)121(76-113)142(16,17)18)71-104(98)62-53-101-56-65-110(86-131(101)152)116-81-126(147(31,32)33)137(164-92(5)158)127(82-116)148(34,35)36)69-96(68-94)45-48-99-51-60-108(114-77-122(143(19,20)21)135(162-90(3)156)123(78-114)144(22,23)24)72-105(99)63-54-102-57-66-111(87-132(102)153)117-83-128(149(37,38)39)138(165-93(6)159)129(84-117)150(40,41)42/h43-87H,1-42H3/b46-43+,47-44+,48-45+,61-52+,62-53+,63-54+
InChIKeyIHCMRPGFWNIUOG-CNKGLOJESA-N
MW2405.72 g/mol
LogP42.12
Rot. Bonds24

About [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate

[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate (PubChem CID 101022569) has the molecular formula C150H171Br3O12 and a molecular weight of 2405.72 g/mol. Its IUPAC name is [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate.

Molecular Properties

Compound Name[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate
PubChem CID101022569
Molecular FormulaC150H171Br3O12
Molecular Weight2405.72 g/mol
Exact Mass2401.03
IUPAC Name[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate
SMILESCC(=O)Oc1c(C(C)(C)C)cc(-c2ccc(/C=C/c3cc(-c4cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c4)ccc3/C=C/c3cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)c3)c(Br)c2)cc1C(C)(C)C
InChIInChI=1S/C150H171Br3O12/c1-88(154)160-133-118(139(7,8)9)73-112(74-119(133)140(10,11)12)106-58-49-97(103(70-106)61-52-100-55-64-109(85-130(100)151)115-79-124(145(25,26)27)136(163-91(4)157)125(80-115)146(28,29)30)46-43-94-67-95(44-47-98-50-59-107(113-75-120(141(13,14)15)134(161-89(2)155)121(76-113)142(16,17)18)71-104(98)62-53-101-56-65-110(86-131(101)152)116-81-126(147(31,32)33)137(164-92(5)158)127(82-116)148(34,35)36)69-96(68-94)45-48-99-51-60-108(114-77-122(143(19,20)21)135(162-90(3)156)123(78-114)144(22,23)24)72-105(99)63-54-102-57-66-111(87-132(102)153)117-83-128(149(37,38)39)138(165-93(6)159)129(84-117)150(40,41)42/h43-87H,1-42H3/b46-43+,47-44+,48-45+,61-52+,62-53+,63-54+
InChIKeyIHCMRPGFWNIUOG-CNKGLOJESA-N
XLogP42.12
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002405.72
LogP ≤ 542.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[7-(4-acetyloxy-3,5-ditert-butylphenyl)-9,10-dibromoanthracen-2-yl]-2,6-ditert-butylphenyl] acetate
CID 177478950
(2,6-ditert-butyl-4-thiophen-3-ylphenyl) acetate
CID 102013088
[4-[6-(4-acetyloxy-3,5-ditert-butylphenyl)-9-bromo-10-(3-hydroxy-3-methylbut-1-ynyl)anthracen-2-yl]-2,6-ditert-butylphenyl] acetate
CID 122227163
[2,4-ditert-butyl-6-(2-methylprop-1-enyl)phenyl] acetate
CID 59708783
[4-[5-bromo-2-(1,2-dibromoethyl)phenyl]-2,6-ditert-butylphenyl] acetate
CID 10507616
[4-[(E)-2-[4-[(E)-2-(4-acetyloxy-3,5-dimethoxyphenyl)ethenyl]-5,6,7,8-tetrafluoronaphthalen-1-yl]ethenyl]-2,6-dimethoxyphenyl] acetate
CID 59742494
[2,6-ditert-butyl-4-(3,5-ditert-butyl-4-methoxyphenyl)phenyl] benzoate
CID 58805696
(3,6-ditert-butyl-2-formylphenyl) acetate
CID 11219619
3-(2-bromo-4-tert-butylphenyl)prop-2-enoic acid
CID 68870467
(2-tert-butyl-6-ethenylphenyl) acetate
CID 10704049
[4-[[bromo(triphenyl)-λ5-phosphanyl]methyl]-2,6-ditert-butylphenyl] acetate
CID 139910842
[4-[7-(4-acetyloxy-3,5-ditert-butylphenyl)-9-[2-[4-(dimethylamino)phenyl]ethynyl]-10-[2-(4-nitrophenyl)ethynyl]anthracen-2-yl]-2,6-ditert-butylphenyl] acetate
CID 122390557

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate?
The IUPAC name of [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate (CID 101022569) is [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate.
What is the SMILES notation for [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate?
The canonical SMILES for [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate is CC(=O)Oc1c(C(C)(C)C)cc(-c2ccc(/C=C/c3cc(-c4cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c4)ccc3/C=C/c3cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)cc(/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4/C=C/c4ccc(-c5cc(C(C)(C)C)c(OC(C)=O)c(C(C)(C)C)c5)cc4Br)c3)c(Br)c2)cc1C(C)(C)C.
What is the InChIKey of [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate?
The InChIKey is IHCMRPGFWNIUOG-CNKGLOJESA-N. The full InChI is InChI=1S/C150H171Br3O12/c1-88(154)160-133-118(139(7,8)9)73-112(74-119(133)140(10,11)12)106-58-49-97(103(70-106)61-52-100-55-64-109(85-130(100)151)115-79-124(145(25,26)27)136(163-91(4)157)125(80-115)146(28,29)30)46-43-94-67-95(44-47-98-50-59-107(113-75-120(141(13,14)15)134(161-89(2)155)121(76-113)142(16,17)18)71-104(98)62-53-101-56-65-110(86-131(101)152)116-81-126(147(31,32)33)137(164-92(5)158)127(82-116)148(34,35)36)69-96(68-94)45-48-99-51-60-108(114-77-122(143(19,20)21)135(162-90(3)156)123(78-114)144(22,23)24)72-105(99)63-54-102-57-66-111(87-132(102)153)117-83-128(149(37,38)39)138(165-93(6)159)129(84-117)150(40,41)42/h43-87H,1-42H3/b46-43+,47-44+,48-45+,61-52+,62-53+,63-54+.
What are the key properties of [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate?
[4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate has a molecular weight of 2405.72 g/mol, XLogP of 42.12, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]-4-[(E)-2-[3,5-bis[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-[(E)-2-[4-(4-acetyloxy-3,5-ditert-butylphenyl)-2-bromophenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-ditert-butylphenyl] acetate is sourced from PubChem (CID 101022569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).