10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine

C42H31FN4 — CID 153287580

IUPAC10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(F)cc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C42H31FN4/c1-42(2)34-21-11-13-23-37(34)47(38-24-14-12-22-35(38)42)36-26-25-30(43)27-33(36)31-19-9-10-20-32(31)41-45-39(28-15-5-3-6-16-28)44-40(46-41)29-17-7-4-8-18-29/h3-27H,1-2H3
InChIKeyHHZFKKVNIFMCPI-UHFFFAOYSA-N
MW610.74 g/mol
LogP10.79
Rot. Bonds5

About 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine

10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine (PubChem CID 153287580) has the molecular formula C42H31FN4 and a molecular weight of 610.74 g/mol. Its IUPAC name is 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
PubChem CID153287580
Molecular FormulaC42H31FN4
Molecular Weight610.74 g/mol
Exact Mass610.25
IUPAC Name10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(F)cc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C42H31FN4/c1-42(2)34-21-11-13-23-37(34)47(38-24-14-12-22-35(38)42)36-26-25-30(43)27-33(36)31-19-9-10-20-32(31)41-45-39(28-15-5-3-6-16-28)44-40(46-41)29-17-7-4-8-18-29/h3-27H,1-2H3
InChIKeyHHZFKKVNIFMCPI-UHFFFAOYSA-N
XLogP10.79
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.74
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
21-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10,14,14-tetramethyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 67472159
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-2-pyridinyl]-9,9-dimethylacridine
CID 153460374
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylinden-1-yl]-9,9-dimethylacridine
CID 138615947
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
9,9-dimethyl-10-[4-[4-[2-methyl-3-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 130380034
10-[5-(9,9-dimethylacridin-10-yl)-3,7-bis(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-dimethylacridine
CID 129290633
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970

Frequently Asked Questions

What is the IUPAC name of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine (CID 153287580) is 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(F)cc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine?
The InChIKey is HHZFKKVNIFMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31FN4/c1-42(2)34-21-11-13-23-37(34)47(38-24-14-12-22-35(38)42)36-26-25-30(43)27-33(36)31-19-9-10-20-32(31)41-45-39(28-15-5-3-6-16-28)44-40(46-41)29-17-7-4-8-18-29/h3-27H,1-2H3.
What are the key properties of 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine?
10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine has a molecular weight of 610.74 g/mol, XLogP of 10.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-fluorophenyl]-9,9-dimethylacridine is sourced from PubChem (CID 153287580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).