tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate

C35H34O6 — CID 68898007

IUPACtert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(C2(c3ccc(OC(=O)OC(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H34O6/c1-33(2,3)40-31(36)38-25-19-15-23(16-20-25)35(24-17-21-26(22-18-24)39-32(37)41-34(4,5)6)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h7-22H,1-6H3
InChIKeyBMYJCYDHSHXCHG-UHFFFAOYSA-N
MW550.65 g/mol
LogP8.68
Rot. Bonds4

About tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate

tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate (PubChem CID 68898007) has the molecular formula C35H34O6 and a molecular weight of 550.65 g/mol. Its IUPAC name is tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate.

Molecular Properties

Compound Nametert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
PubChem CID68898007
Molecular FormulaC35H34O6
Molecular Weight550.65 g/mol
Exact Mass550.24
IUPAC Nametert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc(C2(c3ccc(OC(=O)OC(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H34O6/c1-33(2,3)40-31(36)38-25-19-15-23(16-20-25)35(24-17-21-26(22-18-24)39-32(37)41-34(4,5)6)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h7-22H,1-6H3
InChIKeyBMYJCYDHSHXCHG-UHFFFAOYSA-N
XLogP8.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.65
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate with MolForge

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Related Compounds

methyl [4-[9-(4-methylphenyl)fluoren-9-yl]phenyl] carbonate
CID 89179982
[4-[9-(4-but-2-enoyloxyphenyl)fluoren-9-yl]phenyl] but-2-enoate
CID 77431190
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 155279972
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
tert-butyl (4-methylsulfanylphenyl) carbonate
CID 15044335
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
[4-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-phenylmethanone
CID 142193506
tert-butyl (4-hydroxyphenyl) carbonate
CID 22345869
[4-[9-[4-(2-fluorobenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 2-fluorobenzoate
CID 4034550
[4-[9-[4-(3-methylbenzoyl)oxyphenyl]fluoren-9-yl]phenyl] 3-methylbenzoate
CID 3091653
[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
CID 19763252

Frequently Asked Questions

What is the IUPAC name of tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate?
The IUPAC name of tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate (CID 68898007) is tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate.
What is the SMILES notation for tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate?
The canonical SMILES for tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate is CC(C)(C)OC(=O)Oc1ccc(C2(c3ccc(OC(=O)OC(C)(C)C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate?
The InChIKey is BMYJCYDHSHXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O6/c1-33(2,3)40-31(36)38-25-19-15-23(16-20-25)35(24-17-21-26(22-18-24)39-32(37)41-34(4,5)6)29-13-9-7-11-27(29)28-12-8-10-14-30(28)35/h7-22H,1-6H3.
What are the key properties of tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate?
tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate has a molecular weight of 550.65 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [4-[9-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]fluoren-9-yl]phenyl] carbonate is sourced from PubChem (CID 68898007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).