[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane

C39H57N2P — CID 175739350

IUPAC[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccc(N2CCN(c3ccc(C)c(C)c3C)C2=C2CCCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1C
InChIInChI=1S/C39H57N2P/c1-27-21-23-36(31(5)29(27)3)40-25-26-41(37-24-22-28(2)30(4)32(37)6)39(40)35-19-13-14-20-38(35)42(33-15-9-7-10-16-33)34-17-11-8-12-18-34/h21-24,33-34,38H,7-20,25-26H2,1-6H3
InChIKeyUXADXGYLIOVMPY-UHFFFAOYSA-N
MW584.87 g/mol
LogP11.17
Rot. Bonds5

About [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane

[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane (PubChem CID 175739350) has the molecular formula C39H57N2P and a molecular weight of 584.87 g/mol. Its IUPAC name is [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane
PubChem CID175739350
Molecular FormulaC39H57N2P
Molecular Weight584.87 g/mol
Exact Mass584.43
IUPAC Name[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane
SMILESCc1ccc(N2CCN(c3ccc(C)c(C)c3C)C2=C2CCCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1C
InChIInChI=1S/C39H57N2P/c1-27-21-23-36(31(5)29(27)3)40-25-26-41(37-24-22-28(2)30(4)32(37)6)39(40)35-19-13-14-20-38(35)42(33-15-9-7-10-16-33)34-17-11-8-12-18-34/h21-24,33-34,38H,7-20,25-26H2,1-6H3
InChIKeyUXADXGYLIOVMPY-UHFFFAOYSA-N
XLogP11.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.87
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[1,3-bis(2-methylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane
CID 161312242
[3-benzylidene-2-[1,3-bis[3-(2,6-dimethylphenyl)-2,6-dimethylphenyl]imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane
CID 159813304
[2-[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichloro(2-phenylethenylidene)ruthenium
CID 157049904
cyclohexyl-propyl-(2,3,4-trimethylphenyl)phosphane
CID 90108684
[3-benzylidene-2-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane;dichlororuthenium;toluene
CID 159105378
40,41-dimethyl-1,20-diazatricyclo[18.18.4.239,42]tetratetraconta-39,41,43-triene
CID 177473830
tri(cyclooctyl)phosphane
CID 12970661
tri(cyclododecyl)phosphane
CID 19065577
benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dibromoruthenium;tricyclohexylphosphane
CID 87698472
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
dichloronickel;toluene;tricyclohexylphosphane
CID 174762533
(2,3-dimethylphenyl)cyclodecane
CID 21161883

Frequently Asked Questions

What is the IUPAC name of [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The IUPAC name of [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane (CID 175739350) is [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane.
What is the SMILES notation for [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The canonical SMILES for [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane is Cc1ccc(N2CCN(c3ccc(C)c(C)c3C)C2=C2CCCCC2P(C2CCCCC2)C2CCCCC2)c(C)c1C.
What is the InChIKey of [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
The InChIKey is UXADXGYLIOVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57N2P/c1-27-21-23-36(31(5)29(27)3)40-25-26-41(37-24-22-28(2)30(4)32(37)6)39(40)35-19-13-14-20-38(35)42(33-15-9-7-10-16-33)34-17-11-8-12-18-34/h21-24,33-34,38H,7-20,25-26H2,1-6H3.
What are the key properties of [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane?
[2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane has a molecular weight of 584.87 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,3-bis(2,3,4-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]-dicyclohexylphosphane is sourced from PubChem (CID 175739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).