[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone

C38H59O3P — CID 19438147

IUPAC[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCCCCCCP(=O)(C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C38H59O3P/c1-14-15-16-17-18-42(41,37(39)35-31(25(6)7)19-29(23(2)3)20-32(35)26(8)9)38(40)36-33(27(10)11)21-30(24(4)5)22-34(36)28(12)13/h19-28H,14-18H2,1-13H3
InChIKeyOEZSFDSKWVDKNP-UHFFFAOYSA-N
MW594.86 g/mol
LogP12.35
Rot. Bonds15

About [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone

[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone (PubChem CID 19438147) has the molecular formula C38H59O3P and a molecular weight of 594.86 g/mol. Its IUPAC name is [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
PubChem CID19438147
Molecular FormulaC38H59O3P
Molecular Weight594.86 g/mol
Exact Mass594.42
IUPAC Name[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
SMILESCCCCCCP(=O)(C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C38H59O3P/c1-14-15-16-17-18-42(41,37(39)35-31(25(6)7)19-29(23(2)3)20-32(35)26(8)9)38(40)36-33(27(10)11)21-30(24(4)5)22-34(36)28(12)13/h19-28H,14-18H2,1-13H3
InChIKeyOEZSFDSKWVDKNP-UHFFFAOYSA-N
XLogP12.35
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.86
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The IUPAC name of [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone (CID 19438147) is [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone.
What is the SMILES notation for [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The canonical SMILES for [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone is CCCCCCP(=O)(C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
The InChIKey is OEZSFDSKWVDKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H59O3P/c1-14-15-16-17-18-42(41,37(39)35-31(25(6)7)19-29(23(2)3)20-32(35)26(8)9)38(40)36-33(27(10)11)21-30(24(4)5)22-34(36)28(12)13/h19-28H,14-18H2,1-13H3.
What are the key properties of [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone?
[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone has a molecular weight of 594.86 g/mol, XLogP of 12.35, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 19438147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).