[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone

C114H177O8P3 — CID 159876894

IUPAC[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cc(CC(C)C)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CC(C)C)cc(CC(C)C)cc2CC(C)C)c(CC(C)C)c1.CCCCP(=O)(C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.CCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1
InChIInChI=1S/2C42H67O3P.C30H43O2P/c1-26(2)15-33-21-35(17-28(5)6)39(36(22-33)18-29(7)8)41(43)46(45,25-32(13)14)42(44)40-37(19-30(9)10)23-34(16-27(3)4)24-38(40)20-31(11)12;1-20-21-22-46(45,35(43)33-29(39(8,9)10)23-27(37(2,3)4)24-30(33)40(11,12)13)36(44)34-31(41(14,15)16)25-28(38(5,6)7)26-32(34)42(17,18)19;1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h21-24,26-32H,15-20,25H2,1-14H3;23-26H,20-22H2,1-19H3;15-18,20H,9-14,19H2,1-8H3
InChIKeyNTACPOLNEAADCH-UHFFFAOYSA-N
MW1768.58 g/mol
LogP33.22
Rot. Bonds37

About [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone

[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone (PubChem CID 159876894) has the molecular formula C114H177O8P3 and a molecular weight of 1768.58 g/mol. Its IUPAC name is [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone
PubChem CID159876894
Molecular FormulaC114H177O8P3
Molecular Weight1768.58 g/mol
Exact Mass1767.27
IUPAC Name[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1cc(CC(C)C)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CC(C)C)cc(CC(C)C)cc2CC(C)C)c(CC(C)C)c1.CCCCP(=O)(C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.CCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1
InChIInChI=1S/2C42H67O3P.C30H43O2P/c1-26(2)15-33-21-35(17-28(5)6)39(36(22-33)18-29(7)8)41(43)46(45,25-32(13)14)42(44)40-37(19-30(9)10)23-34(16-27(3)4)24-38(40)20-31(11)12;1-20-21-22-46(45,35(43)33-29(39(8,9)10)23-27(37(2,3)4)24-30(33)40(11,12)13)36(44)34-31(41(14,15)16)25-28(38(5,6)7)26-32(34)42(17,18)19;1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h21-24,26-32H,15-20,25H2,1-14H3;23-26H,20-22H2,1-19H3;15-18,20H,9-14,19H2,1-8H3
InChIKeyNTACPOLNEAADCH-UHFFFAOYSA-N
XLogP33.22
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds37
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001768.58
LogP ≤ 533.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone with MolForge

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Related Compounds

[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone
CID 159876895
[butyl-(2,6-diethylbenzoyl)phosphoryl]-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 22183425
4-butyl-2,6-ditert-butylphenol
CID 158079570
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
1,5-dibutyl-3-tert-butylbenzene
CID 140589363
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
2-tert-butyl-6-[2-[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]ethyl]-4-(2-methylpropyl)phenol
CID 19979422
2,6-bis(2-methylpropyl)-4-nonylphenol
CID 126622784
2,6-ditert-butyl-4-(2-methylpropyl)phenol
CID 161371021
(4-tert-butyl-2,6-dimethylphenyl)-[heptyl(phenyl)phosphoryl]methanone
CID 18514166
N-[2-(dimethylamino)ethyl]-2-[2-[[2-[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-3-ethyl-5-(2-methylpropyl)phenyl]methyl]-6-methyl-4-propylphenoxy]acetamide
CID 59859606
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
CID 90210507

Frequently Asked Questions

What is the IUPAC name of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone?
The IUPAC name of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone (CID 159876894) is [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone is CC(C)Cc1cc(CC(C)C)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CC(C)C)cc(CC(C)C)cc2CC(C)C)c(CC(C)C)c1.CCCCP(=O)(C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)C(=O)c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.CCCCc1cc(C)c(C(=O)P(CC(C)C)C(=O)c2c(C)cc(CCCC)cc2C)c(C)c1.
What is the InChIKey of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone?
The InChIKey is NTACPOLNEAADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H67O3P.C30H43O2P/c1-26(2)15-33-21-35(17-28(5)6)39(36(22-33)18-29(7)8)41(43)46(45,25-32(13)14)42(44)40-37(19-30(9)10)23-34(16-27(3)4)24-38(40)20-31(11)12;1-20-21-22-46(45,35(43)33-29(39(8,9)10)23-27(37(2,3)4)24-30(33)40(11,12)13)36(44)34-31(41(14,15)16)25-28(38(5,6)7)26-32(34)42(17,18)19;1-9-11-13-25-15-21(5)27(22(6)16-25)29(31)33(19-20(3)4)30(32)28-23(7)17-26(14-12-10-2)18-24(28)8/h21-24,26-32H,15-20,25H2,1-14H3;23-26H,20-22H2,1-19H3;15-18,20H,9-14,19H2,1-8H3.
What are the key properties of [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone?
[(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone has a molecular weight of 1768.58 g/mol, XLogP of 33.22, 37 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-butyl-2,6-dimethylbenzoyl)-(2-methylpropyl)phosphanyl]-(4-butyl-2,6-dimethylphenyl)methanone;[butyl-(2,4,6-tritert-butylbenzoyl)phosphoryl]-(2,4,6-tritert-butylphenyl)methanone;[2-methylpropyl-[2,4,6-tris(2-methylpropyl)benzoyl]phosphoryl]-[2,4,6-tris(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 159876894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).