cyclohexyl-bis(1H-inden-2-yl)phosphane

C24H25P — CID 21095205

IUPACcyclohexyl-bis(1H-inden-2-yl)phosphane
SMILESC1=C(P(C2=Cc3ccccc3C2)C2CCCCC2)Cc2ccccc21
InChIInChI=1S/C24H25P/c1-2-12-22(13-3-1)25(23-14-18-8-4-5-9-19(18)15-23)24-16-20-10-6-7-11-21(20)17-24/h4-11,14,16,22H,1-3,12-13,15,17H2
InChIKeyTXOCSMHBADQVDY-UHFFFAOYSA-N
MW344.44 g/mol
LogP7.00
Rot. Bonds3

About cyclohexyl-bis(1H-inden-2-yl)phosphane

cyclohexyl-bis(1H-inden-2-yl)phosphane (PubChem CID 21095205) has the molecular formula C24H25P and a molecular weight of 344.44 g/mol. Its IUPAC name is cyclohexyl-bis(1H-inden-2-yl)phosphane.

Molecular Properties

Compound Namecyclohexyl-bis(1H-inden-2-yl)phosphane
PubChem CID21095205
Molecular FormulaC24H25P
Molecular Weight344.44 g/mol
Exact Mass344.17
IUPAC Namecyclohexyl-bis(1H-inden-2-yl)phosphane
SMILESC1=C(P(C2=Cc3ccccc3C2)C2CCCCC2)Cc2ccccc21
InChIInChI=1S/C24H25P/c1-2-12-22(13-3-1)25(23-14-18-8-4-5-9-19(18)15-23)24-16-20-10-6-7-11-21(20)17-24/h4-11,14,16,22H,1-3,12-13,15,17H2
InChIKeyTXOCSMHBADQVDY-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 57.00
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

dicyclohexyl(1H-inden-2-yl)phosphane;1H-inden-2-yl trifluoromethanesulfonate
CID 161097569
ditert-butyl(1H-inden-2-yl)phosphane
CID 21095963
cyclononyl(diphenyl)phosphane
CID 70908257
dichloro(1H-inden-2-yl)phosphane;methane;2-methyl-1H-indene
CID 161014735
dibutyl(1H-inden-2-yl)phosphane
CID 21096004
cyclohexanecarboxylic acid;1H-indene-2-carboxylic acid
CID 175507946
(2R)-1-(1H-inden-2-yl)-2-methylpyrrolidine
CID 134854074
CID 143131255
CID 143131255
3-(1-cyclohexylethyl)-1,2-dihydronaphthalene
CID 20793781
1H-inden-2-ylsilane
CID 137327560
ethane;2-methyl-1H-indene
CID 54388135
dichloro(1H-inden-2-yl)borane
CID 23148935

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-bis(1H-inden-2-yl)phosphane?
The IUPAC name of cyclohexyl-bis(1H-inden-2-yl)phosphane (CID 21095205) is cyclohexyl-bis(1H-inden-2-yl)phosphane.
What is the SMILES notation for cyclohexyl-bis(1H-inden-2-yl)phosphane?
The canonical SMILES for cyclohexyl-bis(1H-inden-2-yl)phosphane is C1=C(P(C2=Cc3ccccc3C2)C2CCCCC2)Cc2ccccc21.
What is the InChIKey of cyclohexyl-bis(1H-inden-2-yl)phosphane?
The InChIKey is TXOCSMHBADQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25P/c1-2-12-22(13-3-1)25(23-14-18-8-4-5-9-19(18)15-23)24-16-20-10-6-7-11-21(20)17-24/h4-11,14,16,22H,1-3,12-13,15,17H2.
What are the key properties of cyclohexyl-bis(1H-inden-2-yl)phosphane?
cyclohexyl-bis(1H-inden-2-yl)phosphane has a molecular weight of 344.44 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-bis(1H-inden-2-yl)phosphane is sourced from PubChem (CID 21095205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).