methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate

C28H22O3 — CID 89179982

IUPACmethyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
SMILESCOC(=O)Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H22O3/c1-19-11-13-20(14-12-19)28(21-15-17-22(18-16-21)31-27(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-18H,1-2H3
InChIKeyHDYMTXSBKGXXJF-UHFFFAOYSA-N
MW406.48 g/mol
LogP6.50
Rot. Bonds3

About methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate

methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate (PubChem CID 89179982) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate.

Molecular Properties

Compound Namemethyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
PubChem CID89179982
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Namemethyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
SMILESCOC(=O)Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H22O3/c1-19-11-13-20(14-12-19)28(21-15-17-22(18-16-21)31-27(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-18H,1-2H3
InChIKeyHDYMTXSBKGXXJF-UHFFFAOYSA-N
XLogP6.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.50
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

tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
CID 68898007
2-O-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] 5-O-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] thiophene-2,5-dicarboxylate
CID 157291601
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-[4-(3-methylbenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-methylbenzoate
CID 3091653
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
9-[4-[methoxy(oxido)amino]oxyphenyl]-9-(4-methylphenyl)fluorene
CID 163635129
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761

Frequently Asked Questions

What is the IUPAC name of methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate?
The IUPAC name of methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate (CID 89179982) is methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate.
What is the SMILES notation for methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate?
The canonical SMILES for methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate is COC(=O)Oc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate?
The InChIKey is HDYMTXSBKGXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O3/c1-19-11-13-20(14-12-19)28(21-15-17-22(18-16-21)31-27(29)30-2)25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-18H,1-2H3.
What are the key properties of methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate?
methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate has a molecular weight of 406.48 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate is sourced from PubChem (CID 89179982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).