1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene

C62H54O4 — CID 59789051

IUPAC1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
SMILESCCOc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(OCC)cc3)c(-c3ccccc3-c3ccc(OCC)cc3)cc2-c2ccccc2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C62H54O4/c1-5-63-47-33-25-43(26-34-47)51-17-9-13-21-55(51)59-41-61(57-23-15-11-19-53(57)45-29-37-49(38-30-45)65-7-3)62(58-24-16-12-20-54(58)46-31-39-50(40-32-46)66-8-4)42-60(59)56-22-14-10-18-52(56)44-27-35-48(36-28-44)64-6-2/h9-42H,5-8H2,1-4H3
InChIKeyDCPITDVFAUHWTK-UHFFFAOYSA-N
MW863.11 g/mol
LogP16.62
Rot. Bonds16

About 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene

1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene (PubChem CID 59789051) has the molecular formula C62H54O4 and a molecular weight of 863.11 g/mol. Its IUPAC name is 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
PubChem CID59789051
Molecular FormulaC62H54O4
Molecular Weight863.11 g/mol
Exact Mass862.40
IUPAC Name1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene
SMILESCCOc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(OCC)cc3)c(-c3ccccc3-c3ccc(OCC)cc3)cc2-c2ccccc2-c2ccc(OCC)cc2)cc1
InChIInChI=1S/C62H54O4/c1-5-63-47-33-25-43(26-34-47)51-17-9-13-21-55(51)59-41-61(57-23-15-11-19-53(57)45-29-37-49(38-30-45)65-7-3)62(58-24-16-12-20-54(58)46-31-39-50(40-32-46)66-8-4)42-60(59)56-22-14-10-18-52(56)44-27-35-48(36-28-44)64-6-2/h9-42H,5-8H2,1-4H3
InChIKeyDCPITDVFAUHWTK-UHFFFAOYSA-N
XLogP16.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.11
LogP ≤ 516.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene?
The IUPAC name of 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene (CID 59789051) is 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene is CCOc1ccc(-c2ccccc2-c2cc(-c3ccccc3-c3ccc(OCC)cc3)c(-c3ccccc3-c3ccc(OCC)cc3)cc2-c2ccccc2-c2ccc(OCC)cc2)cc1.
What is the InChIKey of 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene?
The InChIKey is DCPITDVFAUHWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54O4/c1-5-63-47-33-25-43(26-34-47)51-17-9-13-21-55(51)59-41-61(57-23-15-11-19-53(57)45-29-37-49(38-30-45)65-7-3)62(58-24-16-12-20-54(58)46-31-39-50(40-32-46)66-8-4)42-60(59)56-22-14-10-18-52(56)44-27-35-48(36-28-44)64-6-2/h9-42H,5-8H2,1-4H3.
What are the key properties of 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene?
1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene has a molecular weight of 863.11 g/mol, XLogP of 16.62, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis[2-(4-ethoxyphenyl)phenyl]benzene is sourced from PubChem (CID 59789051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).