bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane

C140H200O8 — CID 162204319

IUPACbis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/4C29H32O2.12C2H6/c2*1-28(2,3)24-14-7-21(8-15-24)9-20-27(30)31-26-18-12-23(13-19-26)22-10-16-25(17-11-22)29(4,5)6;2*1-28(2,3)24-14-12-23(13-15-24)22-10-7-21(8-11-22)9-20-27(30)31-26-18-16-25(17-19-26)29(4,5)6;12*1-2/h4*7-20H,1-6H3;12*1-2H3/b4*20-9+;;;;;;;;;;;;
InChIKeyZRZKGNIEFBBCIK-IJHJJVGWSA-N
MW2011.13 g/mol
LogP42.58
Rot. Bonds16

About bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane

bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane (PubChem CID 162204319) has the molecular formula C140H200O8 and a molecular weight of 2011.13 g/mol. Its IUPAC name is bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane.

Molecular Properties

Compound Namebis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
PubChem CID162204319
Molecular FormulaC140H200O8
Molecular Weight2011.13 g/mol
Exact Mass2009.52
IUPAC Namebis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/4C29H32O2.12C2H6/c2*1-28(2,3)24-14-7-21(8-15-24)9-20-27(30)31-26-18-12-23(13-19-26)22-10-16-25(17-11-22)29(4,5)6;2*1-28(2,3)24-14-12-23(13-15-24)22-10-7-21(8-11-22)9-20-27(30)31-26-18-16-25(17-19-26)29(4,5)6;12*1-2/h4*7-20H,1-6H3;12*1-2H3/b4*20-9+;;;;;;;;;;;;
InChIKeyZRZKGNIEFBBCIK-IJHJJVGWSA-N
XLogP42.58
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002011.13
LogP ≤ 542.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane with MolForge

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Related Compounds

ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042
(4-tert-butylphenyl) 3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 3978081
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
CID 149241121
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
tert-butyl (E)-3-(4-prop-2-enoyloxyphenyl)prop-2-enoate
CID 89400379
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
(4-tert-butylphenyl) (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19173379
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324

Frequently Asked Questions

What is the IUPAC name of bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane?
The IUPAC name of bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane (CID 162204319) is bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane.
What is the SMILES notation for bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane?
The canonical SMILES for bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc(OC(=O)/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane?
The InChIKey is ZRZKGNIEFBBCIK-IJHJJVGWSA-N. The full InChI is InChI=1S/4C29H32O2.12C2H6/c2*1-28(2,3)24-14-7-21(8-15-24)9-20-27(30)31-26-18-12-23(13-19-26)22-10-16-25(17-11-22)29(4,5)6;2*1-28(2,3)24-14-12-23(13-15-24)22-10-7-21(8-11-22)9-20-27(30)31-26-18-16-25(17-19-26)29(4,5)6;12*1-2/h4*7-20H,1-6H3;12*1-2H3/b4*20-9+;;;;;;;;;;;;.
What are the key properties of bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane?
bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane has a molecular weight of 2011.13 g/mol, XLogP of 42.58, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-tert-butylphenyl) (E)-3-[4-(4-tert-butylphenyl)phenyl]prop-2-enoate);bis([4-(4-tert-butylphenyl)phenyl] (E)-3-(4-tert-butylphenyl)prop-2-enoate);ethane is sourced from PubChem (CID 162204319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).