[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

C43H50O4P2 — CID 59218787

IUPAC[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(CCCP(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C43H50O4P2/c1-24-16-28(5)36(29(6)17-24)40(44)48(41(45)37-30(7)18-25(2)19-31(37)8)14-13-15-49(42(46)38-32(9)20-26(3)21-33(38)10)43(47)39-34(11)22-27(4)23-35(39)12/h16-23H,13-15H2,1-12H3
InChIKeyIMVHNDMIDIRKBM-UHFFFAOYSA-N
MW692.82 g/mol
LogP11.40
Rot. Bonds12

About [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone

[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 59218787) has the molecular formula C43H50O4P2 and a molecular weight of 692.82 g/mol. Its IUPAC name is [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID59218787
Molecular FormulaC43H50O4P2
Molecular Weight692.82 g/mol
Exact Mass692.32
IUPAC Name[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(CCCP(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C43H50O4P2/c1-24-16-28(5)36(29(6)17-24)40(44)48(41(45)37-30(7)18-25(2)19-31(37)8)14-13-15-49(42(46)38-32(9)20-26(3)21-33(38)10)43(47)39-34(11)22-27(4)23-35(39)12/h16-23H,13-15H2,1-12H3
InChIKeyIMVHNDMIDIRKBM-UHFFFAOYSA-N
XLogP11.40
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 511.40
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 [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone (CID 59218787) is [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(CCCP(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is IMVHNDMIDIRKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50O4P2/c1-24-16-28(5)36(29(6)17-24)40(44)48(41(45)37-30(7)18-25(2)19-31(37)8)14-13-15-49(42(46)38-32(9)20-26(3)21-33(38)10)43(47)39-34(11)22-27(4)23-35(39)12/h16-23H,13-15H2,1-12H3.
What are the key properties of [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone?
[3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 692.82 g/mol, XLogP of 11.40, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bis(2,4,6-trimethylbenzoyl)phosphanylpropyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 59218787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).