1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane

C136H102Br5F12O14P — CID 158328754

IUPAC1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane
SMILESBrP(Br)Br.Fc1cc(-c2c(CBr)c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)c(OCc4ccccc4)c(OCc4ccccc4)c3OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2OCc2ccccc2)cc(F)c1F.OCc1c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(CO)c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C68H50Br2F6O6.C68H52F6O8.Br3P/c69-35-51-57(49-31-53(71)61(75)54(72)32-49)63(77-37-43-19-7-1-8-20-43)67(81-41-47-27-15-5-16-28-47)65(79-39-45-23-11-3-12-24-45)59(51)60-52(36-70)58(50-33-55(73)62(76)56(74)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;69-53-31-49(32-54(70)61(53)73)57-51(35-75)59(65(79-39-45-23-11-3-12-24-45)67(81-41-47-27-15-5-16-28-47)63(57)77-37-43-19-7-1-8-20-43)60-52(36-76)58(50-33-55(71)62(74)56(72)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;1-4(2)3/h1-34H,35-42H2;1-34,75-76H,35-42H2;
InChIKeyGPSXYLBVJCAOCG-UHFFFAOYSA-N
MW2618.77 g/mol
LogP38.16
Rot. Bonds46

About 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane

1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane (PubChem CID 158328754) has the molecular formula C136H102Br5F12O14P and a molecular weight of 2618.77 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane.

Molecular Properties

Compound Name1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane
PubChem CID158328754
Molecular FormulaC136H102Br5F12O14P
Molecular Weight2618.77 g/mol
Exact Mass2612.27
IUPAC Name1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane
SMILESBrP(Br)Br.Fc1cc(-c2c(CBr)c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)c(OCc4ccccc4)c(OCc4ccccc4)c3OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2OCc2ccccc2)cc(F)c1F.OCc1c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(CO)c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C68H50Br2F6O6.C68H52F6O8.Br3P/c69-35-51-57(49-31-53(71)61(75)54(72)32-49)63(77-37-43-19-7-1-8-20-43)67(81-41-47-27-15-5-16-28-47)65(79-39-45-23-11-3-12-24-45)59(51)60-52(36-70)58(50-33-55(73)62(76)56(74)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;69-53-31-49(32-54(70)61(53)73)57-51(35-75)59(65(79-39-45-23-11-3-12-24-45)67(81-41-47-27-15-5-16-28-47)63(57)77-37-43-19-7-1-8-20-43)60-52(36-76)58(50-33-55(71)62(74)56(72)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;1-4(2)3/h1-34H,35-42H2;1-34,75-76H,35-42H2;
InChIKeyGPSXYLBVJCAOCG-UHFFFAOYSA-N
XLogP38.16
TPSA151.22 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds46
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.77
LogP ≤ 538.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane with MolForge

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Related Compounds

5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
2-phenylmethoxy-5-(3,4,5-trifluorophenyl)benzoic acid
CID 172650688
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
[3,5-difluoro-4-(4-phenylmethoxyphenyl)phenyl]methanol;ethanol
CID 70007811
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
[2-(3,4-difluorophenyl)-6-phenylmethoxy-4-pyridinyl]methanol
CID 165437531
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane?
The IUPAC name of 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane (CID 158328754) is 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane.
What is the SMILES notation for 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane?
The canonical SMILES for 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane is BrP(Br)Br.Fc1cc(-c2c(CBr)c(-c3c(CBr)c(-c4cc(F)c(F)c(F)c4)c(OCc4ccccc4)c(OCc4ccccc4)c3OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2OCc2ccccc2)cc(F)c1F.OCc1c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(CO)c(-c2cc(F)c(F)c(F)c2)c(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane?
The InChIKey is GPSXYLBVJCAOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50Br2F6O6.C68H52F6O8.Br3P/c69-35-51-57(49-31-53(71)61(75)54(72)32-49)63(77-37-43-19-7-1-8-20-43)67(81-41-47-27-15-5-16-28-47)65(79-39-45-23-11-3-12-24-45)59(51)60-52(36-70)58(50-33-55(73)62(76)56(74)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;69-53-31-49(32-54(70)61(53)73)57-51(35-75)59(65(79-39-45-23-11-3-12-24-45)67(81-41-47-27-15-5-16-28-47)63(57)77-37-43-19-7-1-8-20-43)60-52(36-76)58(50-33-55(71)62(74)56(72)34-50)64(78-38-44-21-9-2-10-22-44)68(82-42-48-29-17-6-18-30-48)66(60)80-40-46-25-13-4-14-26-46;1-4(2)3/h1-34H,35-42H2;1-34,75-76H,35-42H2;.
What are the key properties of 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane?
1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane has a molecular weight of 2618.77 g/mol, XLogP of 38.16, 46 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[2-(bromomethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)benzene;[2-[2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)-3-(3,4,5-trifluorophenyl)phenyl]-3,4,5-tris(phenylmethoxy)-6-(3,4,5-trifluorophenyl)phenyl]methanol;tribromophosphane is sourced from PubChem (CID 158328754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).