dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane

C30H45Cl2N2P — CID 158221356

IUPACdicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane
SMILESCc1cc(C)c(N2CCNC2=C2CC(Cl)(Cl)CCC2P(C2CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C30H45Cl2N2P/c1-21-18-22(2)28(23(3)19-21)34-17-16-33-29(34)26-20-30(31,32)15-14-27(26)35(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h18-19,24-25,27,33H,4-17,20H2,1-3H3
InChIKeyJGTCITMOURRDSU-UHFFFAOYSA-N
MW535.58 g/mol
LogP9.11
Rot. Bonds4

About dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane

dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane (PubChem CID 158221356) has the molecular formula C30H45Cl2N2P and a molecular weight of 535.58 g/mol. Its IUPAC name is dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane
PubChem CID158221356
Molecular FormulaC30H45Cl2N2P
Molecular Weight535.58 g/mol
Exact Mass534.27
IUPAC Namedicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane
SMILESCc1cc(C)c(N2CCNC2=C2CC(Cl)(Cl)CCC2P(C2CCCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C30H45Cl2N2P/c1-21-18-22(2)28(23(3)19-21)34-17-16-33-29(34)26-20-30(31,32)15-14-27(26)35(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h18-19,24-25,27,33H,4-17,20H2,1-3H3
InChIKeyJGTCITMOURRDSU-UHFFFAOYSA-N
XLogP9.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.58
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane?
The IUPAC name of dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane (CID 158221356) is dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane.
What is the SMILES notation for dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane?
The canonical SMILES for dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane is Cc1cc(C)c(N2CCNC2=C2CC(Cl)(Cl)CCC2P(C2CCCCC2)C2CCCCC2)c(C)c1.
What is the InChIKey of dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane?
The InChIKey is JGTCITMOURRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45Cl2N2P/c1-21-18-22(2)28(23(3)19-21)34-17-16-33-29(34)26-20-30(31,32)15-14-27(26)35(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h18-19,24-25,27,33H,4-17,20H2,1-3H3.
What are the key properties of dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane?
dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane has a molecular weight of 535.58 g/mol, XLogP of 9.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[4,4-dichloro-2-[1-(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]cyclohexyl]phosphane is sourced from PubChem (CID 158221356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).