[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane

C53H63O12P3 — CID 19417903

IUPAC[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
SMILESCOc1cccc(OC)c1C(P)(c1c(OC)cccc1OC)C(C)(C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC)C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C53H63O12P3/c1-50(51(66,44-32(54-2)20-14-21-33(44)55-3)45-34(56-4)22-15-23-35(45)57-5,52(67,46-36(58-6)24-16-25-37(46)59-7)47-38(60-8)26-17-27-39(47)61-9)53(68,48-40(62-10)28-18-29-41(48)63-11)49-42(64-12)30-19-31-43(49)65-13/h14-31H,66-68H2,1-13H3
InChIKeyHYTKZEZSJYZBKT-UHFFFAOYSA-N
MW985.00 g/mol
LogP10.55
Rot. Bonds21

About [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane

[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane (PubChem CID 19417903) has the molecular formula C53H63O12P3 and a molecular weight of 985.00 g/mol. Its IUPAC name is [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane.

Molecular Properties

Compound Name[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
PubChem CID19417903
Molecular FormulaC53H63O12P3
Molecular Weight985.00 g/mol
Exact Mass984.35
IUPAC Name[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
SMILESCOc1cccc(OC)c1C(P)(c1c(OC)cccc1OC)C(C)(C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC)C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C53H63O12P3/c1-50(51(66,44-32(54-2)20-14-21-33(44)55-3)45-34(56-4)22-15-23-35(45)57-5,52(67,46-36(58-6)24-16-25-37(46)59-7)47-38(60-8)26-17-27-39(47)61-9)53(68,48-40(62-10)28-18-29-41(48)63-11)49-42(64-12)30-19-31-43(49)65-13/h14-31H,66-68H2,1-13H3
InChIKeyHYTKZEZSJYZBKT-UHFFFAOYSA-N
XLogP10.55
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.00
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-tert-butyl-1-iodo-3-methoxybenzene
CID 146377094
2-(1,1-difluoroethyl)-3-methoxyphenol
CID 84661311
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
3-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 116811364
N,2-ditert-butyl-N-(2-tert-butyl-3-methoxyphenyl)-3-methoxyaniline
CID 59819325
2,2-dibromo-2-(2,6-dimethoxyphenyl)acetaldehyde
CID 87481977
3-(2,6-dimethoxyphenyl)pentan-3-amine
CID 116809908
1-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 116809899
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086
2-tert-butyl-3-methoxybenzoyl chloride
CID 143795822
(2R)-2-amino-2-(2-methoxy-6-methylphenyl)propan-1-ol
CID 55268996

Frequently Asked Questions

What is the IUPAC name of [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The IUPAC name of [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane (CID 19417903) is [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane.
What is the SMILES notation for [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The canonical SMILES for [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane is COc1cccc(OC)c1C(P)(c1c(OC)cccc1OC)C(C)(C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC)C(P)(c1c(OC)cccc1OC)c1c(OC)cccc1OC.
What is the InChIKey of [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
The InChIKey is HYTKZEZSJYZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H63O12P3/c1-50(51(66,44-32(54-2)20-14-21-33(44)55-3)45-34(56-4)22-15-23-35(45)57-5,52(67,46-36(58-6)24-16-25-37(46)59-7)47-38(60-8)26-17-27-39(47)61-9)53(68,48-40(62-10)28-18-29-41(48)63-11)49-42(64-12)30-19-31-43(49)65-13/h14-31H,66-68H2,1-13H3.
What are the key properties of [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane?
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane has a molecular weight of 985.00 g/mol, XLogP of 10.55, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane is sourced from PubChem (CID 19417903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).