10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine

C52H36FN — CID 118314818

IUPAC10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21
InChIInChI=1S/C52H36FN/c1-51(2)43-17-9-11-19-49(43)54(50-20-12-10-18-44(50)51)38-24-28-42-40-26-22-36(34-15-7-4-8-16-34)30-46(40)52(48(42)32-38)45-29-35(33-13-5-3-6-14-33)21-25-39(45)41-27-23-37(53)31-47(41)52/h3-32H,1-2H3
InChIKeyZJMBVNNOERYWNH-UHFFFAOYSA-N
MW693.87 g/mol
LogP13.61
Rot. Bonds3

About 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine

10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine (PubChem CID 118314818) has the molecular formula C52H36FN and a molecular weight of 693.87 g/mol. Its IUPAC name is 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine.

Molecular Properties

Compound Name10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine
PubChem CID118314818
Molecular FormulaC52H36FN
Molecular Weight693.87 g/mol
Exact Mass693.28
IUPAC Name10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21
InChIInChI=1S/C52H36FN/c1-51(2)43-17-9-11-19-49(43)54(50-20-12-10-18-44(50)51)38-24-28-42-40-26-22-36(34-15-7-4-8-16-34)30-46(40)52(48(42)32-38)45-29-35(33-13-5-3-6-14-33)21-25-39(45)41-27-23-37(53)31-47(41)52/h3-32H,1-2H3
InChIKeyZJMBVNNOERYWNH-UHFFFAOYSA-N
XLogP13.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine?
The IUPAC name of 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine (CID 118314818) is 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine.
What is the SMILES notation for 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine?
The canonical SMILES for 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc3c(c2)C2(c4cc(F)ccc4-c4ccc(-c5ccccc5)cc42)c2cc(-c4ccccc4)ccc2-3)c2ccccc21.
What is the InChIKey of 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine?
The InChIKey is ZJMBVNNOERYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36FN/c1-51(2)43-17-9-11-19-49(43)54(50-20-12-10-18-44(50)51)38-24-28-42-40-26-22-36(34-15-7-4-8-16-34)30-46(40)52(48(42)32-38)45-29-35(33-13-5-3-6-14-33)21-25-39(45)41-27-23-37(53)31-47(41)52/h3-32H,1-2H3.
What are the key properties of 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine?
10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine has a molecular weight of 693.87 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2'-fluoro-7,7'-diphenyl-9,9'-spirobi[fluorene]-2-yl)-9,9-dimethylacridine is sourced from PubChem (CID 118314818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).