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

C45H32F6N4 — CID 139321907

IUPAC10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C45H32F6N4/c1-42(2)35-17-9-11-19-37(35)55(38-20-12-10-18-36(38)42)34-27-25-33(26-28-34)43(44(46,47)48,45(49,50)51)32-23-21-31(22-24-32)41-53-39(29-13-5-3-6-14-29)52-40(54-41)30-15-7-4-8-16-30/h3-28H,1-2H3
InChIKeyNFFNQLPMWLPFGW-UHFFFAOYSA-N
MW742.77 g/mol
LogP12.39
Rot. Bonds6

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

10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine (PubChem CID 139321907) has the molecular formula C45H32F6N4 and a molecular weight of 742.77 g/mol. Its IUPAC name is 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine
PubChem CID139321907
Molecular FormulaC45H32F6N4
Molecular Weight742.77 g/mol
Exact Mass742.25
IUPAC Name10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C45H32F6N4/c1-42(2)35-17-9-11-19-37(35)55(38-20-12-10-18-36(38)42)34-27-25-33(26-28-34)43(44(46,47)48,45(49,50)51)32-23-21-31(22-24-32)41-53-39(29-13-5-3-6-14-29)52-40(54-41)30-15-7-4-8-16-30/h3-28H,1-2H3
InChIKeyNFFNQLPMWLPFGW-UHFFFAOYSA-N
XLogP12.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.77
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The IUPAC name of 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine (CID 139321907) is 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The canonical SMILES for 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(C(c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)(C(F)(F)F)C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
The InChIKey is NFFNQLPMWLPFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32F6N4/c1-42(2)35-17-9-11-19-37(35)55(38-20-12-10-18-36(38)42)34-27-25-33(26-28-34)43(44(46,47)48,45(49,50)51)32-23-21-31(22-24-32)41-53-39(29-13-5-3-6-14-29)52-40(54-41)30-15-7-4-8-16-30/h3-28H,1-2H3.
What are the key properties of 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine?
10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine has a molecular weight of 742.77 g/mol, XLogP of 12.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 139321907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).