2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole

C21H17F2P — CID 70999453

IUPAC2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole
SMILESCc1cc2c(cc1F)c1cc(F)c(C)c(C)c1p2-c1ccccc1
InChIInChI=1S/C21H17F2P/c1-12-9-20-16(10-18(12)22)17-11-19(23)13(2)14(3)21(17)24(20)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyCBPRBHGTYRWSCK-UHFFFAOYSA-N
MW338.34 g/mol
LogP7.17
Rot. Bonds1

About 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole

2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole (PubChem CID 70999453) has the molecular formula C21H17F2P and a molecular weight of 338.34 g/mol. Its IUPAC name is 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole.

Molecular Properties

Compound Name2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole
PubChem CID70999453
Molecular FormulaC21H17F2P
Molecular Weight338.34 g/mol
Exact Mass338.10
IUPAC Name2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole
SMILESCc1cc2c(cc1F)c1cc(F)c(C)c(C)c1p2-c1ccccc1
InChIInChI=1S/C21H17F2P/c1-12-9-20-16(10-18(12)22)17-11-19(23)13(2)14(3)21(17)24(20)15-7-5-4-6-8-15/h4-11H,1-3H3
InChIKeyCBPRBHGTYRWSCK-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole?
The IUPAC name of 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole (CID 70999453) is 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole.
What is the SMILES notation for 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole?
The canonical SMILES for 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole is Cc1cc2c(cc1F)c1cc(F)c(C)c(C)c1p2-c1ccccc1.
What is the InChIKey of 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole?
The InChIKey is CBPRBHGTYRWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2P/c1-12-9-20-16(10-18(12)22)17-11-19(23)13(2)14(3)21(17)24(20)15-7-5-4-6-8-15/h4-11H,1-3H3.
What are the key properties of 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole?
2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole has a molecular weight of 338.34 g/mol, XLogP of 7.17, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-difluoro-3,4,7-trimethyl-5-phenylbenzo[b]phosphindole is sourced from PubChem (CID 70999453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).