[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane

C63H60O4P4 — CID 102519620

IUPAC[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccc2OCP(=O)(COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C63H60O4P4/c1-46-19-31-52(32-20-46)68(53-33-21-47(2)22-34-53)61-16-10-7-13-58(61)65-43-71(64,44-66-59-14-8-11-17-62(59)69(54-35-23-48(3)24-36-54)55-37-25-49(4)26-38-55)45-67-60-15-9-12-18-63(60)70(56-39-27-50(5)28-40-56)57-41-29-51(6)30-42-57/h7-42H,43-45H2,1-6H3
InChIKeyLBHOOHNUBSWMOR-UHFFFAOYSA-N
MW1005.07 g/mol
LogP12.58
Rot. Bonds18

About [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane

[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane (PubChem CID 102519620) has the molecular formula C63H60O4P4 and a molecular weight of 1005.07 g/mol. Its IUPAC name is [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane.

Molecular Properties

Compound Name[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane
PubChem CID102519620
Molecular FormulaC63H60O4P4
Molecular Weight1005.07 g/mol
Exact Mass1004.34
IUPAC Name[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccccc2OCP(=O)(COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C63H60O4P4/c1-46-19-31-52(32-20-46)68(53-33-21-47(2)22-34-53)61-16-10-7-13-58(61)65-43-71(64,44-66-59-14-8-11-17-62(59)69(54-35-23-48(3)24-36-54)55-37-25-49(4)26-38-55)45-67-60-15-9-12-18-63(60)70(56-39-27-50(5)28-40-56)57-41-29-51(6)30-42-57/h7-42H,43-45H2,1-6H3
InChIKeyLBHOOHNUBSWMOR-UHFFFAOYSA-N
XLogP12.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.07
LogP ≤ 512.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
CID 138520904
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
ethane;tris(4-methylphenyl)phosphane
CID 145151678
[2-(2-diphenylphosphanylphenoxy)phenyl]-di(propan-2-yl)phosphane
CID 23643523
[3-methyl-2-(2-methylphenyl)phenyl]-bis(4-methylphenyl)phosphane
CID 151240435
palladium(2+);tris(4-methylphenyl)phosphane;diacetate
CID 173264842
silver;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;nitrate
CID 11457162
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317

Frequently Asked Questions

What is the IUPAC name of [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane?
The IUPAC name of [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane (CID 102519620) is [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane.
What is the SMILES notation for [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane?
The canonical SMILES for [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2ccccc2OCP(=O)(COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)COc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane?
The InChIKey is LBHOOHNUBSWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H60O4P4/c1-46-19-31-52(32-20-46)68(53-33-21-47(2)22-34-53)61-16-10-7-13-58(61)65-43-71(64,44-66-59-14-8-11-17-62(59)69(54-35-23-48(3)24-36-54)55-37-25-49(4)26-38-55)45-67-60-15-9-12-18-63(60)70(56-39-27-50(5)28-40-56)57-41-29-51(6)30-42-57/h7-42H,43-45H2,1-6H3.
What are the key properties of [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane?
[2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane has a molecular weight of 1005.07 g/mol, XLogP of 12.58, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[[2-bis(4-methylphenyl)phosphanylphenoxy]methyl]phosphorylmethoxy]phenyl]-bis(4-methylphenyl)phosphane is sourced from PubChem (CID 102519620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).