1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene

C64H58O6 — CID 118707567

IUPAC1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene
SMILESc1ccc(COCc2c(COCc3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)c(COCc3ccccc3)c(COCc3ccccc3)c2-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C64H58O6/c1-7-19-49(20-8-1)39-65-45-59-60(46-66-40-50-21-9-2-10-22-50)64(56-33-37-58(38-34-56)70-44-54-29-17-6-18-30-54)62(48-68-42-52-25-13-4-14-26-52)61(47-67-41-51-23-11-3-12-24-51)63(59)55-31-35-57(36-32-55)69-43-53-27-15-5-16-28-53/h1-38H,39-48H2
InChIKeyIOTMBZYHESAHEG-UHFFFAOYSA-N
MW923.16 g/mol
LogP15.05
Rot. Bonds24

About 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene

1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene (PubChem CID 118707567) has the molecular formula C64H58O6 and a molecular weight of 923.16 g/mol. Its IUPAC name is 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene.

Molecular Properties

Compound Name1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene
PubChem CID118707567
Molecular FormulaC64H58O6
Molecular Weight923.16 g/mol
Exact Mass922.42
IUPAC Name1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene
SMILESc1ccc(COCc2c(COCc3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)c(COCc3ccccc3)c(COCc3ccccc3)c2-c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C64H58O6/c1-7-19-49(20-8-1)39-65-45-59-60(46-66-40-50-21-9-2-10-22-50)64(56-33-37-58(38-34-56)70-44-54-29-17-6-18-30-54)62(48-68-42-52-25-13-4-14-26-52)61(47-67-41-51-23-11-3-12-24-51)63(59)55-31-35-57(36-32-55)69-43-53-27-15-5-16-28-53/h1-38H,39-48H2
InChIKeyIOTMBZYHESAHEG-UHFFFAOYSA-N
XLogP15.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.16
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene?
The IUPAC name of 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene (CID 118707567) is 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene.
What is the SMILES notation for 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene?
The canonical SMILES for 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene is c1ccc(COCc2c(COCc3ccccc3)c(-c3ccc(OCc4ccccc4)cc3)c(COCc3ccccc3)c(COCc3ccccc3)c2-c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene?
The InChIKey is IOTMBZYHESAHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58O6/c1-7-19-49(20-8-1)39-65-45-59-60(46-66-40-50-21-9-2-10-22-50)64(56-33-37-58(38-34-56)70-44-54-29-17-6-18-30-54)62(48-68-42-52-25-13-4-14-26-52)61(47-67-41-51-23-11-3-12-24-51)63(59)55-31-35-57(36-32-55)69-43-53-27-15-5-16-28-53/h1-38H,39-48H2.
What are the key properties of 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene?
1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene has a molecular weight of 923.16 g/mol, XLogP of 15.05, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrakis(phenylmethoxymethyl)-3,6-bis(4-phenylmethoxyphenyl)benzene is sourced from PubChem (CID 118707567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).