[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

C206H190P12 — CID 158525037

IUPAC[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESCC(C)(C)c1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.CCc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(CC)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.Cc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C72H70P4.C68H62P4.C66H58P4/c1-71(2,3)59-47-55(51-73(61-31-15-7-16-32-61)62-33-17-8-18-34-62)69(56(48-59)52-74(63-35-19-9-20-36-63)64-37-21-10-22-38-64)70-57(53-75(65-39-23-11-24-40-65)66-41-25-12-26-42-66)49-60(72(4,5)6)50-58(70)54-76(67-43-27-13-28-44-67)68-45-29-14-30-46-68;1-3-53-45-55(49-69(59-29-13-5-14-30-59)60-31-15-6-16-32-60)67(56(46-53)50-70(61-33-17-7-18-34-61)62-35-19-8-20-36-62)68-57(51-71(63-37-21-9-22-38-63)64-39-23-10-24-40-64)47-54(4-2)48-58(68)52-72(65-41-25-11-26-42-65)66-43-27-12-28-44-66;1-51-43-53(47-67(57-27-11-3-12-28-57)58-29-13-4-14-30-58)65(54(44-51)48-68(59-31-15-5-16-32-59)60-33-17-6-18-34-60)66-55(49-69(61-35-19-7-20-36-61)62-37-21-8-22-38-62)45-52(2)46-56(66)50-70(63-39-23-9-24-40-63)64-41-25-10-26-42-64/h7-50H,51-54H2,1-6H3;5-48H,3-4,49-52H2,1-2H3;3-46H,47-50H2,1-2H3
InChIKeyHMRNOGBJJOBHHZ-UHFFFAOYSA-N
MW3037.47 g/mol
LogP45.99
Rot. Bonds53

About [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane

[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (PubChem CID 158525037) has the molecular formula C206H190P12 and a molecular weight of 3037.47 g/mol. Its IUPAC name is [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
PubChem CID158525037
Molecular FormulaC206H190P12
Molecular Weight3037.47 g/mol
Exact Mass3035.17
IUPAC Name[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
SMILESCC(C)(C)c1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.CCc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(CC)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.Cc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C72H70P4.C68H62P4.C66H58P4/c1-71(2,3)59-47-55(51-73(61-31-15-7-16-32-61)62-33-17-8-18-34-62)69(56(48-59)52-74(63-35-19-9-20-36-63)64-37-21-10-22-38-64)70-57(53-75(65-39-23-11-24-40-65)66-41-25-12-26-42-66)49-60(72(4,5)6)50-58(70)54-76(67-43-27-13-28-44-67)68-45-29-14-30-46-68;1-3-53-45-55(49-69(59-29-13-5-14-30-59)60-31-15-6-16-32-60)67(56(46-53)50-70(61-33-17-7-18-34-61)62-35-19-8-20-36-62)68-57(51-71(63-37-21-9-22-38-63)64-39-23-10-24-40-64)47-54(4-2)48-58(68)52-72(65-41-25-11-26-42-65)66-43-27-12-28-44-66;1-51-43-53(47-67(57-27-11-3-12-28-57)58-29-13-4-14-30-58)65(54(44-51)48-68(59-31-15-5-16-32-59)60-33-17-6-18-34-60)66-55(49-69(61-35-19-7-20-36-61)62-37-21-8-22-38-62)45-52(2)46-56(66)50-70(63-39-23-9-24-40-63)64-41-25-10-26-42-64/h7-50H,51-54H2,1-6H3;5-48H,3-4,49-52H2,1-2H3;3-46H,47-50H2,1-2H3
InChIKeyHMRNOGBJJOBHHZ-UHFFFAOYSA-N
XLogP45.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds53
Heavy Atoms218
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003037.47
LogP ≤ 545.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane with MolForge

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Related Compounds

[5-tert-butyl-3-[[5-tert-butyl-3-(diphenylphosphanylmethyl)-2-methoxyphenyl]methyl]-2-methoxyphenyl]methyl-diphenylphosphane
CID 101421651
ditert-butyl-[[2-(diphenylphosphanylmethyl)phenyl]methyl]phosphane
CID 87241692
diphenylphosphanyl-(2,4,6-triethylphenyl)methanone
CID 141148656
[1-(2-ethylnaphthalen-1-yl)naphthalen-2-yl]methyl-diphenylphosphane
CID 159069423
benzyl-phenyl-(2,4,6-trimethylphenyl)phosphane
CID 91019854
tert-butylbenzene;1-tert-butyl-3,5-dimethylbenzene
CID 165052129
4-tert-butyl-2-[3-[2-(diphenylphosphanylmethyl)-6-methylphenyl]phosphanylhexan-3-yl]-6-methylphenol
CID 71191439
tert-butylbenzene;1,3,5-trimethylbenzene
CID 173429948
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
1,2,3,4-tetrakis(2,4-ditert-butyl-6-ethylphenyl)biphenylene
CID 173053195

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The IUPAC name of [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane (CID 158525037) is [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane.
What is the SMILES notation for [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The canonical SMILES for [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is CC(C)(C)c1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C(C)(C)C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.CCc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(CC)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.Cc1cc(CP(c2ccccc2)c2ccccc2)c(-c2c(CP(c3ccccc3)c3ccccc3)cc(C)cc2CP(c2ccccc2)c2ccccc2)c(CP(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
The InChIKey is HMRNOGBJJOBHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H70P4.C68H62P4.C66H58P4/c1-71(2,3)59-47-55(51-73(61-31-15-7-16-32-61)62-33-17-8-18-34-62)69(56(48-59)52-74(63-35-19-9-20-36-63)64-37-21-10-22-38-64)70-57(53-75(65-39-23-11-24-40-65)66-41-25-12-26-42-66)49-60(72(4,5)6)50-58(70)54-76(67-43-27-13-28-44-67)68-45-29-14-30-46-68;1-3-53-45-55(49-69(59-29-13-5-14-30-59)60-31-15-6-16-32-60)67(56(46-53)50-70(61-33-17-7-18-34-61)62-35-19-8-20-36-62)68-57(51-71(63-37-21-9-22-38-63)64-39-23-10-24-40-64)47-54(4-2)48-58(68)52-72(65-41-25-11-26-42-65)66-43-27-12-28-44-66;1-51-43-53(47-67(57-27-11-3-12-28-57)58-29-13-4-14-30-58)65(54(44-51)48-68(59-31-15-5-16-32-59)60-33-17-6-18-34-60)66-55(49-69(61-35-19-7-20-36-61)62-37-21-8-22-38-62)45-52(2)46-56(66)50-70(63-39-23-9-24-40-63)64-41-25-10-26-42-64/h7-50H,51-54H2,1-6H3;5-48H,3-4,49-52H2,1-2H3;3-46H,47-50H2,1-2H3.
What are the key properties of [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane?
[2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane has a molecular weight of 3037.47 g/mol, XLogP of 45.99, 53 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis(diphenylphosphanylmethyl)-4-ethylphenyl]-3-(diphenylphosphanylmethyl)-5-ethylphenyl]methyl-diphenylphosphane;[2-[2,6-bis(diphenylphosphanylmethyl)-4-methylphenyl]-3-(diphenylphosphanylmethyl)-5-methylphenyl]methyl-diphenylphosphane;[5-tert-butyl-2-[4-tert-butyl-2,6-bis(diphenylphosphanylmethyl)phenyl]-3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane is sourced from PubChem (CID 158525037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).