bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate

C43H38O3 — CID 66629129

IUPACbis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
SMILESCC(C)(c1ccccc1)c1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C43H38O3/c1-42(2,33-15-7-5-8-16-33)35-27-23-31(24-28-35)37-19-11-13-21-39(37)45-41(44)46-40-22-14-12-20-38(40)32-25-29-36(30-26-32)43(3,4)34-17-9-6-10-18-34/h5-30H,1-4H3
InChIKeyTYZJUMLCNMQIGS-UHFFFAOYSA-N
MW602.77 g/mol
LogP11.25
Rot. Bonds8

About bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate

bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate (PubChem CID 66629129) has the molecular formula C43H38O3 and a molecular weight of 602.77 g/mol. Its IUPAC name is bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate.

Molecular Properties

Compound Namebis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
PubChem CID66629129
Molecular FormulaC43H38O3
Molecular Weight602.77 g/mol
Exact Mass602.28
IUPAC Namebis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate
SMILESCC(C)(c1ccccc1)c1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C43H38O3/c1-42(2,33-15-7-5-8-16-33)35-27-23-31(24-28-35)37-19-11-13-21-39(37)45-41(44)46-40-22-14-12-20-38(40)32-25-29-36(30-26-32)43(3,4)34-17-9-6-10-18-34/h5-30H,1-4H3
InChIKeyTYZJUMLCNMQIGS-UHFFFAOYSA-N
XLogP11.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.77
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
bis[2-(2-tritylphenyl)phenyl] carbonate
CID 66925236
bis[2-[4-(2-methylpropyl)phenyl]phenyl] carbonate
CID 66629489
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]carbonyloxybenzoate
CID 89098058
diazulen-1-yl butanedioate
CID 91384946
(2-chlorophenyl) 4-(2-phenylpropan-2-yl)benzoate
CID 22994708
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
CID 177245881
2-phenylpropan-2-ylbenzene
CID 13065
(2-phenylphenyl) dimethylphosphorylformate
CID 122645320
[2-(4-aminophenyl)phenyl] acetate
CID 68788383
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670

Frequently Asked Questions

What is the IUPAC name of bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate?
The IUPAC name of bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate (CID 66629129) is bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate.
What is the SMILES notation for bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate?
The canonical SMILES for bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate is CC(C)(c1ccccc1)c1ccc(-c2ccccc2OC(=O)Oc2ccccc2-c2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate?
The InChIKey is TYZJUMLCNMQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O3/c1-42(2,33-15-7-5-8-16-33)35-27-23-31(24-28-35)37-19-11-13-21-39(37)45-41(44)46-40-22-14-12-20-38(40)32-25-29-36(30-26-32)43(3,4)34-17-9-6-10-18-34/h5-30H,1-4H3.
What are the key properties of bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate?
bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate has a molecular weight of 602.77 g/mol, XLogP of 11.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[4-(2-phenylpropan-2-yl)phenyl]phenyl] carbonate is sourced from PubChem (CID 66629129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).