2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite

C56H64O7P2 — CID 142850374

IUPAC2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
SMILESCc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(OP(C)Oc2cccc3c2C(=O)c2c(OP(Oc4cc(C)ccc4C(C)C)Oc4cc(C)ccc4C(C)C)cccc2C3=O)c1
InChIInChI=1S/C45H48O7P2.C11H16/c1-26(2)32-20-17-29(7)23-39(32)49-53(10)48-37-15-11-13-35-42(37)45(47)43-36(44(35)46)14-12-16-38(43)50-54(51-40-24-30(8)18-21-33(40)27(3)4)52-41-25-31(9)19-22-34(41)28(5)6;1-8(2)11-6-5-9(3)7-10(11)4/h11-28H,1-10H3;5-8H,1-4H3
InChIKeySBOKNZVAOIATCM-UHFFFAOYSA-N
MW911.07 g/mol
LogP16.35
Rot. Bonds14

About 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite

2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite (PubChem CID 142850374) has the molecular formula C56H64O7P2 and a molecular weight of 911.07 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
PubChem CID142850374
Molecular FormulaC56H64O7P2
Molecular Weight911.07 g/mol
Exact Mass910.41
IUPAC Name2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
SMILESCc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(OP(C)Oc2cccc3c2C(=O)c2c(OP(Oc4cc(C)ccc4C(C)C)Oc4cc(C)ccc4C(C)C)cccc2C3=O)c1
InChIInChI=1S/C45H48O7P2.C11H16/c1-26(2)32-20-17-29(7)23-39(32)49-53(10)48-37-15-11-13-35-42(37)45(47)43-36(44(35)46)14-12-16-38(43)50-54(51-40-24-30(8)18-21-33(40)27(3)4)52-41-25-31(9)19-22-34(41)28(5)6;1-8(2)11-6-5-9(3)7-10(11)4/h11-28H,1-10H3;5-8H,1-4H3
InChIKeySBOKNZVAOIATCM-UHFFFAOYSA-N
XLogP16.35
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.07
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[8-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 58931576
1-butan-2-yl-4-methylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;[5-methoxy-2-[4-methoxy-2-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxybenzoyl]phenyl] methyl (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850087
(8-dinaphthalen-2-yloxyphosphanyloxy-9,10-dioxoanthracen-1-yl) dinaphthalen-2-yl phosphite
CID 58931698
1-(2-chloro-4-methylphenoxy)anthracene-9,10-dione
CID 134117733
[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850621
[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite
CID 142850207
[8-bis(2-formylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] (2-formylphenyl) (2-methoxyphenyl) phosphite
CID 58931597
1-hydroxy-2-(1-hydroxyethyl)-8-methoxyanthracene-9,10-dione
CID 11300971
[2-[2-bis[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenyl] bis[2-(1,3-dioxan-2-yl)phenyl] phosphite;[2-[3,5-dimethyl-2-[(5-methyl-2-propan-2-ylphenoxy)-phenylphosphanyl]oxyphenyl]-4,6-dimethylphenoxy]-(5-methyl-2-propan-2-ylphenoxy)-phenylphosphane
CID 158570640
dichloro-(2,4-dimethylphenoxy)phosphane;dichloro(ethoxy)phosphane;dichloro-(2-ethylphenoxy)phosphane;dichloro-(2-methylphenoxy)phosphane;dichloro-(5-methyl-2-propan-2-ylphenoxy)phosphane;dichloro(phenoxy)phosphane
CID 158217992
1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite (CID 142850374) is 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite is Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(OP(C)Oc2cccc3c2C(=O)c2c(OP(Oc4cc(C)ccc4C(C)C)Oc4cc(C)ccc4C(C)C)cccc2C3=O)c1.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite?
The InChIKey is SBOKNZVAOIATCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H48O7P2.C11H16/c1-26(2)32-20-17-29(7)23-39(32)49-53(10)48-37-15-11-13-35-42(37)45(47)43-36(44(35)46)14-12-16-38(43)50-54(51-40-24-30(8)18-21-33(40)27(3)4)52-41-25-31(9)19-22-34(41)28(5)6;1-8(2)11-6-5-9(3)7-10(11)4/h11-28H,1-10H3;5-8H,1-4H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite?
2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite has a molecular weight of 911.07 g/mol, XLogP of 16.35, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylbenzene;[8-[methyl-(5-methyl-2-propan-2-ylphenoxy)phosphanyl]oxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 142850374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).