(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite

C63H93O3P — CID 19087250

IUPAC(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite
SMILESCc1ccc(OP(Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)cc1
InChIInChI=1S/C63H93O3P/c1-38(2)58(14,15)47-30-45-32-54(62(22,23)42(9)10)56(36-50(45)52(34-47)60(18,19)40(5)6)65-67(64-49-28-26-44(13)27-29-49)66-57-37-51-46(33-55(57)63(24,25)43(11)12)31-48(59(16,17)39(3)4)35-53(51)61(20,21)41(7)8/h26-43H,1-25H3
InChIKeyUSKOYTAQHACOPJ-UHFFFAOYSA-N
MW929.41 g/mol
LogP19.67
Rot. Bonds18

About (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite

(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite (PubChem CID 19087250) has the molecular formula C63H93O3P and a molecular weight of 929.41 g/mol. Its IUPAC name is (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite.

Molecular Properties

Compound Name(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite
PubChem CID19087250
Molecular FormulaC63H93O3P
Molecular Weight929.41 g/mol
Exact Mass928.69
IUPAC Name(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite
SMILESCc1ccc(OP(Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)cc1
InChIInChI=1S/C63H93O3P/c1-38(2)58(14,15)47-30-45-32-54(62(22,23)42(9)10)56(36-50(45)52(34-47)60(18,19)40(5)6)65-67(64-49-28-26-44(13)27-29-49)66-57-37-51-46(33-55(57)63(24,25)43(11)12)31-48(59(16,17)39(3)4)35-53(51)61(20,21)41(7)8/h26-43H,1-25H3
InChIKeyUSKOYTAQHACOPJ-UHFFFAOYSA-N
XLogP19.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.41
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite?
The IUPAC name of (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite (CID 19087250) is (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite.
What is the SMILES notation for (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite?
The canonical SMILES for (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite is Cc1ccc(OP(Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)Oc2cc3c(C(C)(C)C(C)C)cc(C(C)(C)C(C)C)cc3cc2C(C)(C)C(C)C)cc1.
What is the InChIKey of (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite?
The InChIKey is USKOYTAQHACOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H93O3P/c1-38(2)58(14,15)47-30-45-32-54(62(22,23)42(9)10)56(36-50(45)52(34-47)60(18,19)40(5)6)65-67(64-49-28-26-44(13)27-29-49)66-57-37-51-46(33-55(57)63(24,25)43(11)12)31-48(59(16,17)39(3)4)35-53(51)61(20,21)41(7)8/h26-43H,1-25H3.
What are the key properties of (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite?
(4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite has a molecular weight of 929.41 g/mol, XLogP of 19.67, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) bis[3,6,8-tris(2,3-dimethylbutan-2-yl)naphthalen-2-yl] phosphite is sourced from PubChem (CID 19087250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).