propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate

C44H38O5 — CID 141433722

IUPACpropan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
SMILESCC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C44H38O5/c1-29(2)47-43(45)35-25-27-37(41(33-21-13-7-14-22-33)39(35)31-17-9-5-10-18-31)49-38-28-26-36(44(46)48-30(3)4)40(32-19-11-6-12-20-32)42(38)34-23-15-8-16-24-34/h5-30H,1-4H3
InChIKeyMGKUYRNSLBGBLG-UHFFFAOYSA-N
MW646.78 g/mol
LogP11.28
Rot. Bonds10

About propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate

propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate (PubChem CID 141433722) has the molecular formula C44H38O5 and a molecular weight of 646.78 g/mol. Its IUPAC name is propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
PubChem CID141433722
Molecular FormulaC44H38O5
Molecular Weight646.78 g/mol
Exact Mass646.27
IUPAC Namepropan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate
SMILESCC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C44H38O5/c1-29(2)47-43(45)35-25-27-37(41(33-21-13-7-14-22-33)39(35)31-17-9-5-10-18-31)49-38-28-26-36(44(46)48-30(3)4)40(32-19-11-6-12-20-32)42(38)34-23-15-8-16-24-34/h5-30H,1-4H3
InChIKeyMGKUYRNSLBGBLG-UHFFFAOYSA-N
XLogP11.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.78
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 2-(2-propan-2-yloxycarbonylphenoxy)carbonyloxybenzoate
CID 66977286
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3-(3-carboxy-2-phenylphenoxy)-2-phenylbenzoic acid
CID 142659865
propan-2-yl 2-(2-phenylpropan-2-yl)benzoate
CID 175400116
4-(3-carboxy-4-propan-2-yloxycarbonylphenyl)-2-propan-2-yloxycarbonylbenzoic acid
CID 57303644
propan-2-yl 3-bromo-2-methoxy-5-phenylbenzoate
CID 50882965
diphenyl-(2-propan-2-yloxycarbonylphenyl)phosphanium
CID 102464972
bis(2-propan-2-yloxycarbonylphenyl) (E)-but-2-enedioate
CID 175019361
propan-2-yl 5-phenoxy-2-propoxybenzoate
CID 82552129
dipropan-2-yl perylene-3,9-dicarboxylate
CID 86028819
propan-2-yl 2-prop-2-enoylperoxycarbonylbenzoate
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CID 67977903

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate?
The IUPAC name of propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate (CID 141433722) is propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate.
What is the SMILES notation for propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate?
The canonical SMILES for propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate is CC(C)OC(=O)c1ccc(Oc2ccc(C(=O)OC(C)C)c(-c3ccccc3)c2-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate?
The InChIKey is MGKUYRNSLBGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38O5/c1-29(2)47-43(45)35-25-27-37(41(33-21-13-7-14-22-33)39(35)31-17-9-5-10-18-31)49-38-28-26-36(44(46)48-30(3)4)40(32-19-11-6-12-20-32)42(38)34-23-15-8-16-24-34/h5-30H,1-4H3.
What are the key properties of propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate?
propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate has a molecular weight of 646.78 g/mol, XLogP of 11.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2,3-diphenyl-4-propan-2-yloxycarbonylphenoxy)-2,3-diphenylbenzoate is sourced from PubChem (CID 141433722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).