[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane

C48H52O4P2 — CID 87110781

IUPAC[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3
InChIKeyIDNKFBDRZBLTFQ-UHFFFAOYSA-N
MW754.89 g/mol
LogP9.37
Rot. Bonds11

About [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane

[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane (PubChem CID 87110781) has the molecular formula C48H52O4P2 and a molecular weight of 754.89 g/mol. Its IUPAC name is [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
PubChem CID87110781
Molecular FormulaC48H52O4P2
Molecular Weight754.89 g/mol
Exact Mass754.33
IUPAC Name[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3
InChIKeyIDNKFBDRZBLTFQ-UHFFFAOYSA-N
XLogP9.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane (CID 87110781) is [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane is COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is IDNKFBDRZBLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52O4P2/c1-29-13-30(2)18-39(17-29)53(40-19-31(3)14-32(4)20-40)45-27-37(49-9)25-43(51-11)47(45)48-44(52-12)26-38(50-10)28-46(48)54(41-21-33(5)15-34(6)22-41)42-23-35(7)16-36(8)24-42/h13-28H,1-12H3.
What are the key properties of [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane?
[2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 754.89 g/mol, XLogP of 9.37, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(3,5-dimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 87110781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).