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

C52H60O4P2 — CID 127256133

IUPAC[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c(P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c1
InChIInChI=1S/C52H60O4P2/c1-29-17-43(18-30(2)37(29)9)57(44-19-31(3)38(10)32(4)20-44)49-27-41(53-13)25-47(55-15)51(49)52-48(56-16)26-42(54-14)28-50(52)58(45-21-33(5)39(11)34(6)22-45)46-23-35(7)40(12)36(8)24-46/h17-28H,1-16H3
InChIKeyITFRFVKFGZCSKA-UHFFFAOYSA-N
MW811.00 g/mol
LogP10.61
Rot. Bonds11

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

[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane (PubChem CID 127256133) has the molecular formula C52H60O4P2 and a molecular weight of 811.00 g/mol. Its IUPAC name is [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane.

Molecular Properties

Compound Name[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane
PubChem CID127256133
Molecular FormulaC52H60O4P2
Molecular Weight811.00 g/mol
Exact Mass810.40
IUPAC Name[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c(P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c1
InChIInChI=1S/C52H60O4P2/c1-29-17-43(18-30(2)37(29)9)57(44-19-31(3)38(10)32(4)20-44)49-27-41(53-13)25-47(55-15)51(49)52-48(56-16)26-42(54-14)28-50(52)58(45-21-33(5)39(11)34(6)22-45)46-23-35(7)40(12)36(8)24-46/h17-28H,1-16H3
InChIKeyITFRFVKFGZCSKA-UHFFFAOYSA-N
XLogP10.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 510.61
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(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane?
The IUPAC name of [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane (CID 127256133) is [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane.
What is the SMILES notation for [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane?
The canonical SMILES for [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane is COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c(P(c2cc(C)c(C)c(C)c2)c2cc(C)c(C)c(C)c2)c1.
What is the InChIKey of [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane?
The InChIKey is ITFRFVKFGZCSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60O4P2/c1-29-17-43(18-30(2)37(29)9)57(44-19-31(3)38(10)32(4)20-44)49-27-41(53-13)25-47(55-15)51(49)52-48(56-16)26-42(54-14)28-50(52)58(45-21-33(5)39(11)34(6)22-45)46-23-35(7)40(12)36(8)24-46/h17-28H,1-16H3.
What are the key properties of [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane?
[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane has a molecular weight of 811.00 g/mol, XLogP of 10.61, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane is sourced from PubChem (CID 127256133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).