[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane

C30H24Br4O6 — CID 160720421

IUPAC[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane
SMILESC.CC(C)(c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1)c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1
InChIInChI=1S/C29H20Br4O6.CH4/c1-29(2,17-13-21(30)25(22(31)14-17)38-27(34)36-19-9-5-3-6-10-19)18-15-23(32)26(24(33)16-18)39-28(35)37-20-11-7-4-8-12-20;/h3-16H,1-2H3;1H4
InChIKeyRTALOMNCLPOBND-UHFFFAOYSA-N
MW800.13 g/mol
LogP10.85
Rot. Bonds6

About [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane

[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane (PubChem CID 160720421) has the molecular formula C30H24Br4O6 and a molecular weight of 800.13 g/mol. Its IUPAC name is [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane.

Molecular Properties

Compound Name[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane
PubChem CID160720421
Molecular FormulaC30H24Br4O6
Molecular Weight800.13 g/mol
Exact Mass795.83
IUPAC Name[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane
SMILESC.CC(C)(c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1)c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1
InChIInChI=1S/C29H20Br4O6.CH4/c1-29(2,17-13-21(30)25(22(31)14-17)38-27(34)36-19-9-5-3-6-10-19)18-15-23(32)26(24(33)16-18)39-28(35)37-20-11-7-4-8-12-20;/h3-16H,1-2H3;1H4
InChIKeyRTALOMNCLPOBND-UHFFFAOYSA-N
XLogP10.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.13
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate
CID 58932015
(4-tert-butyl-2,6-dimethylphenyl) phenyl carbonate;ethane
CID 91381776
[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-phenylacetyl)oxyphenyl]propan-2-yl]phenyl] 2-phenylacetate
CID 3342522
[2,6-dibromo-4-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]phenyl] benzoate
CID 58805686
[2,6-dibromo-4-[2-[3,5-dibromo-4-(3-phenylpropanoyloxy)phenyl]propan-2-yl]phenyl] 3-phenylpropanoate
CID 3341578
diphenyl carbonate;4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol
CID 170853175
[2,6-dibromo-4-[2-[3,5-dibromo-4-(2-iodobenzoyl)oxyphenyl]propan-2-yl]phenyl] 2-iodobenzoate
CID 3341576
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
diphenyl carbonate;ethane;molecular iodine
CID 159087497
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977

Frequently Asked Questions

What is the IUPAC name of [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane?
The IUPAC name of [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane (CID 160720421) is [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane.
What is the SMILES notation for [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane?
The canonical SMILES for [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane is C.CC(C)(c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1)c1cc(Br)c(OC(=O)Oc2ccccc2)c(Br)c1.
What is the InChIKey of [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane?
The InChIKey is RTALOMNCLPOBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Br4O6.CH4/c1-29(2,17-13-21(30)25(22(31)14-17)38-27(34)36-19-9-5-3-6-10-19)18-15-23(32)26(24(33)16-18)39-28(35)37-20-11-7-4-8-12-20;/h3-16H,1-2H3;1H4.
What are the key properties of [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane?
[2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane has a molecular weight of 800.13 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dibromo-4-[2-(3,5-dibromo-4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] phenyl carbonate;methane is sourced from PubChem (CID 160720421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).