[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane

C38H40O4P2 — CID 138520904

IUPAC[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(c1ccccc1OCC)c1ccccc1P(c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C38H40O4P2/c1-5-39-29-19-9-13-23-33(29)43(34-24-14-10-20-30(34)40-6-2)37-27-17-18-28-38(37)44(35-25-15-11-21-31(35)41-7-3)36-26-16-12-22-32(36)42-8-4/h9-28H,5-8H2,1-4H3
InChIKeyQKHHHDPPDIYPKB-UHFFFAOYSA-N
MW622.68 g/mol
LogP6.80
Rot. Bonds14

About [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane

[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane (PubChem CID 138520904) has the molecular formula C38H40O4P2 and a molecular weight of 622.68 g/mol. Its IUPAC name is [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane.

Molecular Properties

Compound Name[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
PubChem CID138520904
Molecular FormulaC38H40O4P2
Molecular Weight622.68 g/mol
Exact Mass622.24
IUPAC Name[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane
SMILESCCOc1ccccc1P(c1ccccc1OCC)c1ccccc1P(c1ccccc1OCC)c1ccccc1OCC
InChIInChI=1S/C38H40O4P2/c1-5-39-29-19-9-13-23-33(29)43(34-24-14-10-20-30(34)40-6-2)37-27-17-18-28-38(37)44(35-25-15-11-21-31(35)41-7-3)36-26-16-12-22-32(36)42-8-4/h9-28H,5-8H2,1-4H3
InChIKeyQKHHHDPPDIYPKB-UHFFFAOYSA-N
XLogP6.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.68
LogP ≤ 56.80
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)phosphanylmethyl]-2-ethylbutyl]-bis(2-ethoxyphenyl)phosphane
CID 102101698
(4-chlorophenyl)-[2-[(4-chlorophenyl)-(2-ethoxyphenyl)phosphanyl]ethyl]-(2-ethoxyphenyl)phosphane
CID 23044751
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
(2-ethoxyphenyl)phosphane
CID 19813759
CID 57470241
CID 57470241
sodium 2-ethoxyphenolate
CID 23671657
2-ethoxyaniline;molecular hydrogen
CID 144877970
(2-ethoxyphenyl)boronic acid
CID 2734902
lithium;1-ethoxynaphthalene;hydride
CID 174613942
1-ethoxy-2-phosphorosooxybenzene
CID 67079234
1-(3-bromo-4-methylpentan-2-yl)-2-ethoxybenzene
CID 79299308

Frequently Asked Questions

What is the IUPAC name of [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane?
The IUPAC name of [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane (CID 138520904) is [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane.
What is the SMILES notation for [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane?
The canonical SMILES for [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane is CCOc1ccccc1P(c1ccccc1OCC)c1ccccc1P(c1ccccc1OCC)c1ccccc1OCC.
What is the InChIKey of [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane?
The InChIKey is QKHHHDPPDIYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40O4P2/c1-5-39-29-19-9-13-23-33(29)43(34-24-14-10-20-30(34)40-6-2)37-27-17-18-28-38(37)44(35-25-15-11-21-31(35)41-7-3)36-26-16-12-22-32(36)42-8-4/h9-28H,5-8H2,1-4H3.
What are the key properties of [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane?
[2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane has a molecular weight of 622.68 g/mol, XLogP of 6.80, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2-ethoxyphenyl)phosphanylphenyl]-bis(2-ethoxyphenyl)phosphane is sourced from PubChem (CID 138520904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).