(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane

C33H41N2P — CID 159097168

IUPAC(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane
SMILESc1ccc(P(=C2N(C3CCCCC3)CCN2C2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H41N2P/c1-6-16-28(17-7-1)34-26-27-35(29-18-8-2-9-19-29)33(34)36(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h3-5,10-15,20-25,28-29H,1-2,6-9,16-19,26-27H2
InChIKeyDASGXWXKLBUERM-UHFFFAOYSA-N
MW496.68 g/mol
LogP6.35
Rot. Bonds5

About (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane

(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane (PubChem CID 159097168) has the molecular formula C33H41N2P and a molecular weight of 496.68 g/mol. Its IUPAC name is (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane
PubChem CID159097168
Molecular FormulaC33H41N2P
Molecular Weight496.68 g/mol
Exact Mass496.30
IUPAC Name(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane
SMILESc1ccc(P(=C2N(C3CCCCC3)CCN2C2CCCCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H41N2P/c1-6-16-28(17-7-1)34-26-27-35(29-18-8-2-9-19-29)33(34)36(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h3-5,10-15,20-25,28-29H,1-2,6-9,16-19,26-27H2
InChIKeyDASGXWXKLBUERM-UHFFFAOYSA-N
XLogP6.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.68
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dicyclohexylimidazolidin-2-ylidene)rhodium
CID 142675127
1-cycloheptyl-4-phenylpiperazine
CID 2846720
4-cyclohexyl-3,5-diphenyl-1,2,4-dioxazolidine
CID 10335511
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
4-cyclohexyl-2,3-dihydro-1H-quinoxaline
CID 105470427
1-cyclodecyl-4-phenylpiperidine;hydrochloride
CID 70215634
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222
trans-(1S,2S)-1-N,2-N-bis(diphenylphosphinothioyl)cyclohexane-1,2-diamine
CID 102079929
(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
CID 170439418
(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537010
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
5-cyclohexyl-1,2,3,4-tetrahydro-1,5-benzodiazepin-2-ol
CID 145262182

Frequently Asked Questions

What is the IUPAC name of (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane?
The IUPAC name of (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane (CID 159097168) is (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane.
What is the SMILES notation for (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane?
The canonical SMILES for (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane is c1ccc(P(=C2N(C3CCCCC3)CCN2C2CCCCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane?
The InChIKey is DASGXWXKLBUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N2P/c1-6-16-28(17-7-1)34-26-27-35(29-18-8-2-9-19-29)33(34)36(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h3-5,10-15,20-25,28-29H,1-2,6-9,16-19,26-27H2.
What are the key properties of (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane?
(1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane has a molecular weight of 496.68 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dicyclohexylimidazolidin-2-ylidene)-triphenyl-λ5-phosphane is sourced from PubChem (CID 159097168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).