3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole

C17H19P — CID 134510981

IUPAC3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole
SMILESCc1ccc2c3ccccc3p(C)c2c1C(C)C
InChIInChI=1S/C17H19P/c1-11(2)16-12(3)9-10-14-13-7-5-6-8-15(13)18(4)17(14)16/h5-11H,1-4H3
InChIKeyZLRZDRQEHGCJOE-UHFFFAOYSA-N
MW254.31 g/mol
LogP5.95
Rot. Bonds1

About 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole

3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole (PubChem CID 134510981) has the molecular formula C17H19P and a molecular weight of 254.31 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole
PubChem CID134510981
Molecular FormulaC17H19P
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole
SMILESCc1ccc2c3ccccc3p(C)c2c1C(C)C
InChIInChI=1S/C17H19P/c1-11(2)16-12(3)9-10-14-13-7-5-6-8-15(13)18(4)17(14)16/h5-11H,1-4H3
InChIKeyZLRZDRQEHGCJOE-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.31
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole?
The IUPAC name of 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole (CID 134510981) is 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole is Cc1ccc2c3ccccc3p(C)c2c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole?
The InChIKey is ZLRZDRQEHGCJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19P/c1-11(2)16-12(3)9-10-14-13-7-5-6-8-15(13)18(4)17(14)16/h5-11H,1-4H3.
What are the key properties of 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole?
3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole has a molecular weight of 254.31 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-ylbenzo[b]phosphindole is sourced from PubChem (CID 134510981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).