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

C45H36N4S — CID 153150378

IUPAC10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Sc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C45H36N4S/c1-44(2)33-19-11-13-21-37(33)49(38-22-14-12-20-34(38)44)32-24-26-36-40(28-32)50-39-27-31(23-25-35(39)45(36,3)4)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h5-28H,1-4H3
InChIKeyWAIZOMYNQYECOZ-UHFFFAOYSA-N
MW664.88 g/mol
LogP11.77
Rot. Bonds4

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

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine (PubChem CID 153150378) has the molecular formula C45H36N4S and a molecular weight of 664.88 g/mol. Its IUPAC name is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
PubChem CID153150378
Molecular FormulaC45H36N4S
Molecular Weight664.88 g/mol
Exact Mass664.27
IUPAC Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Sc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
InChIInChI=1S/C45H36N4S/c1-44(2)33-19-11-13-21-37(33)49(38-22-14-12-20-34(38)44)32-24-26-36-40(28-32)50-39-27-31(23-25-35(39)45(36,3)4)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h5-28H,1-4H3
InChIKeyWAIZOMYNQYECOZ-UHFFFAOYSA-N
XLogP11.77
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.88
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
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
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 134578950
2-[3-[4-(9,9-dimethylthioxanthen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163740436
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-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528525
2-(9,9-dimethylthioxanthen-3-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 163972288
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
2-[4-[6-(9,9-dimethylthioxanthen-3-yl)-2-phenylpyrimidin-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174264420
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-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine (CID 153150378) is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine is CC1(C)c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2Sc2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.
What is the InChIKey of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine?
The InChIKey is WAIZOMYNQYECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N4S/c1-44(2)33-19-11-13-21-37(33)49(38-22-14-12-20-34(38)44)32-24-26-36-40(28-32)50-39-27-31(23-25-35(39)45(36,3)4)43-47-41(29-15-7-5-8-16-29)46-42(48-43)30-17-9-6-10-18-30/h5-28H,1-4H3.
What are the key properties of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine?
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine has a molecular weight of 664.88 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylthioxanthen-3-yl]-9,9-dimethylacridine is sourced from PubChem (CID 153150378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).