(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate

C29H40BF4P — CID 71310597

IUPAC(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate
SMILESCCCCC1([PH+](C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21.F[B-](F)(F)F
InChIInChI=1S/C29H39P.BF4/c1-2-3-22-29(27-20-12-10-18-25(27)26-19-11-13-21-28(26)29)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2-1(3,4)5/h10-13,18-21,23-24H,2-9,14-17,22H2,1H3;/q;-1/p+1
InChIKeyCBQHWERYDVYPPB-UHFFFAOYSA-O
MW506.42 g/mol
LogP10.28
Rot. Bonds6

About (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate

(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate (PubChem CID 71310597) has the molecular formula C29H40BF4P and a molecular weight of 506.42 g/mol. Its IUPAC name is (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate.

Molecular Properties

Compound Name(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate
PubChem CID71310597
Molecular FormulaC29H40BF4P
Molecular Weight506.42 g/mol
Exact Mass506.29
IUPAC Name(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate
SMILESCCCCC1([PH+](C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21.F[B-](F)(F)F
InChIInChI=1S/C29H39P.BF4/c1-2-3-22-29(27-20-12-10-18-25(27)26-19-11-13-21-28(26)29)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2-1(3,4)5/h10-13,18-21,23-24H,2-9,14-17,22H2,1H3;/q;-1/p+1
InChIKeyCBQHWERYDVYPPB-UHFFFAOYSA-O
XLogP10.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.42
LogP ≤ 510.28
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 (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate?
The IUPAC name of (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate (CID 71310597) is (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate.
What is the SMILES notation for (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate?
The canonical SMILES for (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate is CCCCC1([PH+](C2CCCCC2)C2CCCCC2)c2ccccc2-c2ccccc21.F[B-](F)(F)F.
What is the InChIKey of (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate?
The InChIKey is CBQHWERYDVYPPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H39P.BF4/c1-2-3-22-29(27-20-12-10-18-25(27)26-19-11-13-21-28(26)29)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2-1(3,4)5/h10-13,18-21,23-24H,2-9,14-17,22H2,1H3;/q;-1/p+1.
What are the key properties of (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate?
(9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate has a molecular weight of 506.42 g/mol, XLogP of 10.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9-butylfluoren-9-yl)-dicyclohexylphosphanium tetrafluoroborate is sourced from PubChem (CID 71310597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).