(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane

C36H44O12P2 — CID 59787533

IUPAC(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane
SMILESCOc1cc(Pc2cc(OC)c(OC)c(OC)c2-c2c(Pc3cc(OC)c(OC)c(OC)c3)cc(OC)c(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C36H44O12P2/c1-37-21-13-19(14-22(38-2)31(21)43-7)49-27-17-25(41-5)33(45-9)35(47-11)29(27)30-28(18-26(42-6)34(46-10)36(30)48-12)50-20-15-23(39-3)32(44-8)24(16-20)40-4/h13-18,49-50H,1-12H3
InChIKeySPIPSCNYDITRBE-UHFFFAOYSA-N
MW730.68 g/mol
LogP4.72
Rot. Bonds17

About (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane

(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane (PubChem CID 59787533) has the molecular formula C36H44O12P2 and a molecular weight of 730.68 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane
PubChem CID59787533
Molecular FormulaC36H44O12P2
Molecular Weight730.68 g/mol
Exact Mass730.23
IUPAC Name(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane
SMILESCOc1cc(Pc2cc(OC)c(OC)c(OC)c2-c2c(Pc3cc(OC)c(OC)c(OC)c3)cc(OC)c(OC)c2OC)cc(OC)c1OC
InChIInChI=1S/C36H44O12P2/c1-37-21-13-19(14-22(38-2)31(21)43-7)49-27-17-25(41-5)33(45-9)35(47-11)29(27)30-28(18-26(42-6)34(46-10)36(30)48-12)50-20-15-23(39-3)32(44-8)24(16-20)40-4/h13-18,49-50H,1-12H3
InChIKeySPIPSCNYDITRBE-UHFFFAOYSA-N
XLogP4.72
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.68
LogP ≤ 54.72
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

phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
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[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phosphanylphenyl)phenyl]phosphane
CID 59989489
1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzothiepine
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CID 102452050
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
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5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
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methane;1,2,3,4-tetramethoxy-5-methylbenzene
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2-[(3,4,5-trimethoxyphenyl)methyl]oxirane
CID 12052944
(Z)-N-methyl-1-(3,4,5-trimethoxyphenyl)prop-1-en-2-amine
CID 142155659
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane?
The IUPAC name of (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane (CID 59787533) is (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane?
The canonical SMILES for (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane is COc1cc(Pc2cc(OC)c(OC)c(OC)c2-c2c(Pc3cc(OC)c(OC)c(OC)c3)cc(OC)c(OC)c2OC)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane?
The InChIKey is SPIPSCNYDITRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44O12P2/c1-37-21-13-19(14-22(38-2)31(21)43-7)49-27-17-25(41-5)33(45-9)35(47-11)29(27)30-28(18-26(42-6)34(46-10)36(30)48-12)50-20-15-23(39-3)32(44-8)24(16-20)40-4/h13-18,49-50H,1-12H3.
What are the key properties of (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane?
(3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane has a molecular weight of 730.68 g/mol, XLogP of 4.72, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)-[3,4,5-trimethoxy-2-[2,3,4-trimethoxy-6-(3,4,5-trimethoxyphenyl)phosphanylphenyl]phenyl]phosphane is sourced from PubChem (CID 59787533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).