[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone

C46H44O4P2 — CID 21055528

IUPAC[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(Cc2ccccc2-c2ccccc2CP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C46H44O4P2/c1-31-25-33(3)43(34(4)26-31)45(47)51(49,39-19-9-7-10-20-39)29-37-17-13-15-23-41(37)42-24-16-14-18-38(42)30-52(50,40-21-11-8-12-22-40)46(48)44-35(5)27-32(2)28-36(44)6/h7-28H,29-30H2,1-6H3
InChIKeyRYVAZFNLFMGQCZ-UHFFFAOYSA-N
MW722.80 g/mol
LogP11.26
Rot. Bonds11

About [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone

[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 21055528) has the molecular formula C46H44O4P2 and a molecular weight of 722.80 g/mol. Its IUPAC name is [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID21055528
Molecular FormulaC46H44O4P2
Molecular Weight722.80 g/mol
Exact Mass722.27
IUPAC Name[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(Cc2ccccc2-c2ccccc2CP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C46H44O4P2/c1-31-25-33(3)43(34(4)26-31)45(47)51(49,39-19-9-7-10-20-39)29-37-17-13-15-23-41(37)42-24-16-14-18-38(42)30-52(50,40-21-11-8-12-22-40)46(48)44-35(5)27-32(2)28-36(44)6/h7-28H,29-30H2,1-6H3
InChIKeyRYVAZFNLFMGQCZ-UHFFFAOYSA-N
XLogP11.26
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.80
LogP ≤ 511.26
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 [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 21055528) is [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(Cc2ccccc2-c2ccccc2CP(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is RYVAZFNLFMGQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44O4P2/c1-31-25-33(3)43(34(4)26-31)45(47)51(49,39-19-9-7-10-20-39)29-37-17-13-15-23-41(37)42-24-16-14-18-38(42)30-52(50,40-21-11-8-12-22-40)46(48)44-35(5)27-32(2)28-36(44)6/h7-28H,29-30H2,1-6H3.
What are the key properties of [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 722.80 g/mol, XLogP of 11.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-[[2-[2-[[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]methyl]phenyl]phenyl]methyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 21055528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).