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

C46H32N4 — CID 132515073

IUPAC10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C46H32N4/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)35-29-31-38(32-30-35)50-41-27-15-13-25-39(41)46(36-21-9-3-10-22-36,37-23-11-4-12-24-37)40-26-14-16-28-42(40)50/h1-32H
InChIKeyAUYUIGLTZFYNRO-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.04
Rot. Bonds6

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

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine (PubChem CID 132515073) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine
PubChem CID132515073
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C46H32N4/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)35-29-31-38(32-30-35)50-41-27-15-13-25-39(41)46(36-21-9-3-10-22-36,37-23-11-4-12-24-37)40-26-14-16-28-42(40)50/h1-32H
InChIKeyAUYUIGLTZFYNRO-UHFFFAOYSA-N
XLogP11.04
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-10H-spiro(acridine-9,9'-fluorene)
CID 132099800
10,10'-(5-(6-(1,1'-Biphenyl)-4-yl-2-phenyl-4-pyrimidinyl)-1,3-phenylene)bis(9,10-dihydro-9,9-dimethyl-acridine)
CID 145297643
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-bis[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 102416899
N-[4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]anilino]phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]aniline
CID 139251198
10-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]-9,9-dimethylacridine
CID 70800293
10-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 71007108
9-[3-[4-(3-Acridin-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]acridine
CID 101520683
10-[4-(4,6-Diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylacridine
CID 118528451
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 122383186
5-[4-(9,9-Dimethylacridin-10-yl)phenyl]pyrimidine-2-carbonitrile
CID 129222599

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine?
The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine (CID 132515073) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine?
The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine?
The InChIKey is AUYUIGLTZFYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-17-33(18-6-1)43-47-44(34-19-7-2-8-20-34)49-45(48-43)35-29-31-38(32-30-35)50-41-27-15-13-25-39(41)46(36-21-9-3-10-22-36,37-23-11-4-12-24-37)40-26-14-16-28-42(40)50/h1-32H.
What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine?
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine has a molecular weight of 640.79 g/mol, XLogP of 11.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-diphenylacridine is sourced from PubChem (CID 132515073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).