chloro-bis(2,4,6-tricyclohexylphenyl)phosphane

C48H70ClP — CID 102375057

IUPACchloro-bis(2,4,6-tricyclohexylphenyl)phosphane
SMILESClP(c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C48H70ClP/c49-50(47-43(37-23-11-3-12-24-37)31-41(35-19-7-1-8-20-35)32-44(47)38-25-13-4-14-26-38)48-45(39-27-15-5-16-28-39)33-42(36-21-9-2-10-22-36)34-46(48)40-29-17-6-18-30-40/h31-40H,1-30H2
InChIKeyDSPWNQQYYVMKSB-UHFFFAOYSA-N
MW713.51 g/mol
LogP15.56
Rot. Bonds8

About chloro-bis(2,4,6-tricyclohexylphenyl)phosphane

chloro-bis(2,4,6-tricyclohexylphenyl)phosphane (PubChem CID 102375057) has the molecular formula C48H70ClP and a molecular weight of 713.51 g/mol. Its IUPAC name is chloro-bis(2,4,6-tricyclohexylphenyl)phosphane.

Molecular Properties

Compound Namechloro-bis(2,4,6-tricyclohexylphenyl)phosphane
PubChem CID102375057
Molecular FormulaC48H70ClP
Molecular Weight713.51 g/mol
Exact Mass712.49
IUPAC Namechloro-bis(2,4,6-tricyclohexylphenyl)phosphane
SMILESClP(c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C48H70ClP/c49-50(47-43(37-23-11-3-12-24-37)31-41(35-19-7-1-8-20-35)32-44(47)38-25-13-4-14-26-38)48-45(39-27-15-5-16-28-39)33-42(36-21-9-2-10-22-36)34-46(48)40-29-17-6-18-30-40/h31-40H,1-30H2
InChIKeyDSPWNQQYYVMKSB-UHFFFAOYSA-N
XLogP15.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.51
LogP ≤ 515.56
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

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1,3,5-tricyclohexyl-2-methoxybenzene
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ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
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2-chloro-4,6-dicyclohexylbenzonitrile
CID 175571038
1,3,5-tricyclohexyl-2-methylperoxybenzene
CID 145144196
2-amino-4,6-dicyclohexylphenol
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1,3,5-tricyclohexyl-2-(disulfanylmethyl)benzene
CID 142309902
2-amino-4,6-dicyclohexylphenol;hydrochloride
CID 139812454
phenyl-bis(2,4,6-tricyclohexylphenyl)phosphane;trifluoromethanesulfonic acid
CID 171931918
buta-1,3-diene;1,3,5-tricyclohexyl-2-[difluoro(hydroxysulfanyl)methyl]sulfanyloxybenzene
CID 144554433
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Frequently Asked Questions

What is the IUPAC name of chloro-bis(2,4,6-tricyclohexylphenyl)phosphane?
The IUPAC name of chloro-bis(2,4,6-tricyclohexylphenyl)phosphane (CID 102375057) is chloro-bis(2,4,6-tricyclohexylphenyl)phosphane.
What is the SMILES notation for chloro-bis(2,4,6-tricyclohexylphenyl)phosphane?
The canonical SMILES for chloro-bis(2,4,6-tricyclohexylphenyl)phosphane is ClP(c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of chloro-bis(2,4,6-tricyclohexylphenyl)phosphane?
The InChIKey is DSPWNQQYYVMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70ClP/c49-50(47-43(37-23-11-3-12-24-37)31-41(35-19-7-1-8-20-35)32-44(47)38-25-13-4-14-26-38)48-45(39-27-15-5-16-28-39)33-42(36-21-9-2-10-22-36)34-46(48)40-29-17-6-18-30-40/h31-40H,1-30H2.
What are the key properties of chloro-bis(2,4,6-tricyclohexylphenyl)phosphane?
chloro-bis(2,4,6-tricyclohexylphenyl)phosphane has a molecular weight of 713.51 g/mol, XLogP of 15.56, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(2,4,6-tricyclohexylphenyl)phosphane is sourced from PubChem (CID 102375057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).