dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine

C38H52NOP — CID 90836051

IUPACdicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine
SMILESCc1cc(C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C)c1.Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H37P.C11H15NO/c1-20-18-21(2)27(22(3)19-20)25-16-10-11-17-26(25)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h10-11,16-19,23-24H,4-9,12-15H2,1-3H3;2-5H,6-9H2,1H3
InChIKeyZUJUWJAUOYHOET-UHFFFAOYSA-N
MW569.81 g/mol
LogP9.88
Rot. Bonds5

About dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine

dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine (PubChem CID 90836051) has the molecular formula C38H52NOP and a molecular weight of 569.81 g/mol. Its IUPAC name is dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine.

Molecular Properties

Compound Namedicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine
PubChem CID90836051
Molecular FormulaC38H52NOP
Molecular Weight569.81 g/mol
Exact Mass569.38
IUPAC Namedicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine
SMILESCc1cc(C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C)c1.Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H37P.C11H15NO/c1-20-18-21(2)27(22(3)19-20)25-16-10-11-17-26(25)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h10-11,16-19,23-24H,4-9,12-15H2,1-3H3;2-5H,6-9H2,1H3
InChIKeyZUJUWJAUOYHOET-UHFFFAOYSA-N
XLogP9.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.81
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine?
The IUPAC name of dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine (CID 90836051) is dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine.
What is the SMILES notation for dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine?
The canonical SMILES for dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine is Cc1cc(C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C)c1.Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine?
The InChIKey is ZUJUWJAUOYHOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37P.C11H15NO/c1-20-18-21(2)27(22(3)19-20)25-16-10-11-17-26(25)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24;1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h10-11,16-19,23-24H,4-9,12-15H2,1-3H3;2-5H,6-9H2,1H3.
What are the key properties of dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine?
dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine has a molecular weight of 569.81 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine is sourced from PubChem (CID 90836051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).