oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium

C33H40O3P+ — CID 173244659

IUPACoxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1C
InChIInChI=1S/C33H40O3P/c1-18(2)25-16-27(19(3)4)31(28(17-25)20(5)6)32(34)26-13-11-12-14-29(26)37(36)33(35)30-22(8)15-21(7)23(9)24(30)10/h11-20H,1-10H3/q+1
InChIKeyBNSQHCKSKCHMLJ-UHFFFAOYSA-N
MW515.65 g/mol
LogP8.81
Rot. Bonds8

About oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium

oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium (PubChem CID 173244659) has the molecular formula C33H40O3P+ and a molecular weight of 515.65 g/mol. Its IUPAC name is oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium.

Molecular Properties

Compound Nameoxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
PubChem CID173244659
Molecular FormulaC33H40O3P+
Molecular Weight515.65 g/mol
Exact Mass515.27
IUPAC Nameoxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium
SMILESCc1cc(C)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1C
InChIInChI=1S/C33H40O3P/c1-18(2)25-16-27(19(3)4)31(28(17-25)20(5)6)32(34)26-13-11-12-14-29(26)37(36)33(35)30-22(8)15-21(7)23(9)24(30)10/h11-20H,1-10H3/q+1
InChIKeyBNSQHCKSKCHMLJ-UHFFFAOYSA-N
XLogP8.81
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685
[2-(2,6-dimethoxybenzoyl)phenyl]-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 173244334
(2,6-dichlorobenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173245773
lithium;hydride;(2-phosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 173244480
(2,6-dimethoxybenzoyl)-oxo-[2-(2,3,4,5,6-pentamethylbenzoyl)phenyl]phosphanium
CID 173244979
cumene;oxo-bis(2-propan-2-ylbenzoyl)phosphanium
CID 175171362
oxo-(2,4,6-trimethoxybenzoyl)-[2-(2,3,6-trimethoxybenzoyl)phenyl]phosphanium
CID 173245628
[4-(2,6-dimethylbenzoyl)-2,3,6-trimethylbenzoyl]-oxo-phenylphosphanium
CID 174384218
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
methyl-oxo-(2,3,4,6-tetramethylbenzoyl)phosphanium
CID 54351714
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
CID 15835314
[2-(4-tert-butyl-2,6-dimethylbenzoyl)phenyl]-oxo-(2,4,4-trimethylpentyl)phosphanium
CID 70015352

Frequently Asked Questions

What is the IUPAC name of oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium?
The IUPAC name of oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium (CID 173244659) is oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium.
What is the SMILES notation for oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium?
The canonical SMILES for oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium is Cc1cc(C)c(C(=O)[P+](=O)c2ccccc2C(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C)c1C.
What is the InChIKey of oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium?
The InChIKey is BNSQHCKSKCHMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40O3P/c1-18(2)25-16-27(19(3)4)31(28(17-25)20(5)6)32(34)26-13-11-12-14-29(26)37(36)33(35)30-22(8)15-21(7)23(9)24(30)10/h11-20H,1-10H3/q+1.
What are the key properties of oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium?
oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium has a molecular weight of 515.65 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2,3,4,6-tetramethylbenzoyl)-[2-[2,4,6-tri(propan-2-yl)benzoyl]phenyl]phosphanium is sourced from PubChem (CID 173244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).