dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane

C54H68P2 — CID 102393553

IUPACdicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
SMILESc1ccc2c(c1)-c1ccccc1C2(CCCCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C54H68P2/c1-5-23-41(24-6-1)55(42-25-7-2-8-26-42)53(49-35-17-13-31-45(49)46-32-14-18-36-50(46)53)39-21-22-40-54(51-37-19-15-33-47(51)48-34-16-20-38-52(48)54)56(43-27-9-3-10-28-43)44-29-11-4-12-30-44/h13-20,31-38,41-44H,1-12,21-30,39-40H2
InChIKeyVRBQSBWBLIIWHE-UHFFFAOYSA-N
MW779.09 g/mol
LogP16.69
Rot. Bonds11

About dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane

dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane (PubChem CID 102393553) has the molecular formula C54H68P2 and a molecular weight of 779.09 g/mol. Its IUPAC name is dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
PubChem CID102393553
Molecular FormulaC54H68P2
Molecular Weight779.09 g/mol
Exact Mass778.48
IUPAC Namedicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
SMILESc1ccc2c(c1)-c1ccccc1C2(CCCCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C54H68P2/c1-5-23-41(24-6-1)55(42-25-7-2-8-26-42)53(49-35-17-13-31-45(49)46-32-14-18-36-50(46)53)39-21-22-40-54(51-37-19-15-33-47(51)48-34-16-20-38-52(48)54)56(43-27-9-3-10-28-43)44-29-11-4-12-30-44/h13-20,31-38,41-44H,1-12,21-30,39-40H2
InChIKeyVRBQSBWBLIIWHE-UHFFFAOYSA-N
XLogP16.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.09
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane with MolForge

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Related Compounds

(9R)-9-dicyclohexylphosphanyl-9-[3-(4-sulfophenyl)propyl]fluorene-2-sulfonic acid
CID 98119546
2-bromospiro[cyclohexane-1,9'-fluorene]
CID 69346071
9-[4-[4-(2-cyclohexylacetyl)piperazin-1-yl]butyl]fluorene-9-carboxylic acid
CID 174461621
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9-cyclopentyl-9-phenylfluorene
CID 59853281
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
CID 125469948
3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
CID 90136424
cyclononyl(diphenyl)phosphane
CID 70908257
[1-[5,5-bis(2-methylphenyl)-1,4-dihydroimidazol-2-yl]cyclohexyl]-dicyclohexylphosphane
CID 155672146
1-(1-pentylcyclohexyl)-2-[4-(1-propylcyclohexyl)phenyl]benzene
CID 23219386

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane?
The IUPAC name of dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane (CID 102393553) is dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane.
What is the SMILES notation for dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane?
The canonical SMILES for dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane is c1ccc2c(c1)-c1ccccc1C2(CCCCC1(P(C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane?
The InChIKey is VRBQSBWBLIIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H68P2/c1-5-23-41(24-6-1)55(42-25-7-2-8-26-42)53(49-35-17-13-31-45(49)46-32-14-18-36-50(46)53)39-21-22-40-54(51-37-19-15-33-47(51)48-34-16-20-38-52(48)54)56(43-27-9-3-10-28-43)44-29-11-4-12-30-44/h13-20,31-38,41-44H,1-12,21-30,39-40H2.
What are the key properties of dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane?
dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane has a molecular weight of 779.09 g/mol, XLogP of 16.69, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane is sourced from PubChem (CID 102393553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).