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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Related Compounds

CID 2734938
CID 2734938
CID 9801140
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CID 71310799
CID 71310799
CID 498145
CID 498145
CID 141533
CID 141533
CID 71310597
CID 71310597
CID 135068487
CID 135068487
CID 298652
CID 298652
CID 10016640
CID 10016640
CID 11348396
CID 11348396
CID 12145845
CID 12145845
CID 22561089
CID 22561089

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).