4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine

C37H27FN2O — CID 168802961

IUPAC4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)Oc2cc(-c3cc(F)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc21
InChIInChI=1S/C37H27FN2O/c1-37(2)32-16-10-9-15-30(32)31-18-17-26(22-35(31)41-37)27-19-28(21-29(38)20-27)34-23-33(24-11-5-3-6-12-24)39-36(40-34)25-13-7-4-8-14-25/h3-23H,1-2H3
InChIKeyOOPUFQDCCFKYPO-UHFFFAOYSA-N
MW534.63 g/mol
LogP9.58
Rot. Bonds4

About 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine

4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine (PubChem CID 168802961) has the molecular formula C37H27FN2O and a molecular weight of 534.63 g/mol. Its IUPAC name is 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine.

Molecular Properties

Compound Name4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine
PubChem CID168802961
Molecular FormulaC37H27FN2O
Molecular Weight534.63 g/mol
Exact Mass534.21
IUPAC Name4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine
SMILESCC1(C)Oc2cc(-c3cc(F)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc21
InChIInChI=1S/C37H27FN2O/c1-37(2)32-16-10-9-15-30(32)31-18-17-26(22-35(31)41-37)27-19-28(21-29(38)20-27)34-23-33(24-11-5-3-6-12-24)39-36(40-34)25-13-7-4-8-14-25/h3-23H,1-2H3
InChIKeyOOPUFQDCCFKYPO-UHFFFAOYSA-N
XLogP9.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.63
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine 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-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine?
The IUPAC name of 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine (CID 168802961) is 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine.
What is the SMILES notation for 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine?
The canonical SMILES for 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine is CC1(C)Oc2cc(-c3cc(F)cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2ccccc21.
What is the InChIKey of 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine?
The InChIKey is OOPUFQDCCFKYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27FN2O/c1-37(2)32-16-10-9-15-30(32)31-18-17-26(22-35(31)41-37)27-19-28(21-29(38)20-27)34-23-33(24-11-5-3-6-12-24)39-36(40-34)25-13-7-4-8-14-25/h3-23H,1-2H3.
What are the key properties of 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine?
4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine has a molecular weight of 534.63 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,6-dimethylbenzo[c]chromen-3-yl)-5-fluorophenyl]-2,6-diphenylpyrimidine is sourced from PubChem (CID 168802961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).