dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane

C24H35BF3P — CID 87622784

IUPACdicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane
SMILESCC1=C(C)C(C)c2cccc(P(C3CCCCC3)C3CCCCC3)c21.FB(F)F
InChIInChI=1S/C24H35P.BF3/c1-17-18(2)22-15-10-16-23(24(22)19(17)3)25(20-11-6-4-7-12-20)21-13-8-5-9-14-21;2-1(3)4/h10,15-16,18,20-21H,4-9,11-14H2,1-3H3;
InChIKeyMBOOEQVKVAOSGA-UHFFFAOYSA-N
MW422.32 g/mol
LogP8.25
Rot. Bonds3

About dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane

dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane (PubChem CID 87622784) has the molecular formula C24H35BF3P and a molecular weight of 422.32 g/mol. Its IUPAC name is dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane.

Molecular Properties

Compound Namedicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane
PubChem CID87622784
Molecular FormulaC24H35BF3P
Molecular Weight422.32 g/mol
Exact Mass422.25
IUPAC Namedicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane
SMILESCC1=C(C)C(C)c2cccc(P(C3CCCCC3)C3CCCCC3)c21.FB(F)F
InChIInChI=1S/C24H35P.BF3/c1-17-18(2)22-15-10-16-23(24(22)19(17)3)25(20-11-6-4-7-12-20)21-13-8-5-9-14-21;2-1(3)4/h10,15-16,18,20-21H,4-9,11-14H2,1-3H3;
InChIKeyMBOOEQVKVAOSGA-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane?
The IUPAC name of dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane (CID 87622784) is dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane.
What is the SMILES notation for dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane?
The canonical SMILES for dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane is CC1=C(C)C(C)c2cccc(P(C3CCCCC3)C3CCCCC3)c21.FB(F)F.
What is the InChIKey of dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane?
The InChIKey is MBOOEQVKVAOSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35P.BF3/c1-17-18(2)22-15-10-16-23(24(22)19(17)3)25(20-11-6-4-7-12-20)21-13-8-5-9-14-21;2-1(3)4/h10,15-16,18,20-21H,4-9,11-14H2,1-3H3;.
What are the key properties of dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane?
dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane has a molecular weight of 422.32 g/mol, XLogP of 8.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1,2,3-trimethyl-1H-inden-4-yl)phosphane;trifluoroborane is sourced from PubChem (CID 87622784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).