4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine

C36H23FN2 — CID 118329192

IUPAC4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
SMILESCc1cc(F)nc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)n1
InChIInChI=1S/C36H23FN2/c1-22-21-33(37)39-35(38-22)24-19-17-23(18-20-24)25-12-8-16-32-34(25)28-11-4-7-15-31(28)36(32)29-13-5-2-9-26(29)27-10-3-6-14-30(27)36/h2-21H,1H3
InChIKeyOOWDEZLMCXKDBV-UHFFFAOYSA-N
MW502.59 g/mol
LogP8.60
Rot. Bonds2

About 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine

4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine (PubChem CID 118329192) has the molecular formula C36H23FN2 and a molecular weight of 502.59 g/mol. Its IUPAC name is 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
PubChem CID118329192
Molecular FormulaC36H23FN2
Molecular Weight502.59 g/mol
Exact Mass502.18
IUPAC Name4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
SMILESCc1cc(F)nc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)n1
InChIInChI=1S/C36H23FN2/c1-22-21-33(37)39-35(38-22)24-19-17-23(18-20-24)25-12-8-16-32-34(25)28-11-4-7-15-31(28)36(32)29-13-5-2-9-26(29)27-10-3-6-14-30(27)36/h2-21H,1H3
InChIKeyOOWDEZLMCXKDBV-UHFFFAOYSA-N
XLogP8.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.59
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine?
The IUPAC name of 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine (CID 118329192) is 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine?
The canonical SMILES for 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine is Cc1cc(F)nc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)n1.
What is the InChIKey of 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine?
The InChIKey is OOWDEZLMCXKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FN2/c1-22-21-33(37)39-35(38-22)24-19-17-23(18-20-24)25-12-8-16-32-34(25)28-11-4-7-15-31(28)36(32)29-13-5-2-9-26(29)27-10-3-6-14-30(27)36/h2-21H,1H3.
What are the key properties of 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine?
4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine has a molecular weight of 502.59 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine is sourced from PubChem (CID 118329192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).