1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene

C37H25F — CID 150980192

IUPAC1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
SMILESFc1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H25F/c38-30-22-20-28(21-23-30)33-32-24-29-18-10-11-19-31(29)37(32)36(27-16-8-3-9-17-27)35(26-14-6-2-7-15-26)34(33)25-12-4-1-5-13-25/h1-23H,24H2
InChIKeyLPXXZEPUCSNKQK-UHFFFAOYSA-N
MW488.61 g/mol
LogP10.06
Rot. Bonds4

About 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene

1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene (PubChem CID 150980192) has the molecular formula C37H25F and a molecular weight of 488.61 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
PubChem CID150980192
Molecular FormulaC37H25F
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
SMILESFc1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1
InChIInChI=1S/C37H25F/c38-30-22-20-28(21-23-30)33-32-24-29-18-10-11-19-31(29)37(32)36(27-16-8-3-9-17-27)35(26-14-6-2-7-15-26)34(33)25-12-4-1-5-13-25/h1-23H,24H2
InChIKeyLPXXZEPUCSNKQK-UHFFFAOYSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene?
The IUPAC name of 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene (CID 150980192) is 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene.
What is the SMILES notation for 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene?
The canonical SMILES for 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene is Fc1ccc(-c2c3c(c(-c4ccccc4)c(-c4ccccc4)c2-c2ccccc2)-c2ccccc2C3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene?
The InChIKey is LPXXZEPUCSNKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25F/c38-30-22-20-28(21-23-30)33-32-24-29-18-10-11-19-31(29)37(32)36(27-16-8-3-9-17-27)35(26-14-6-2-7-15-26)34(33)25-12-4-1-5-13-25/h1-23H,24H2.
What are the key properties of 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene?
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene has a molecular weight of 488.61 g/mol, XLogP of 10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene is sourced from PubChem (CID 150980192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).