3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole

C29H23N3S — CID 121245061

IUPAC3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nsc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C29H23N3S/c1-29(2)23-12-6-8-14-25(23)32(26-15-9-7-13-24(26)29)22-18-16-20(17-19-22)27-30-28(33-31-27)21-10-4-3-5-11-21/h3-19H,1-2H3
InChIKeyWZXLPVPQISBIJM-UHFFFAOYSA-N
MW445.59 g/mol
LogP7.98
Rot. Bonds3

About 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole

3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole (PubChem CID 121245061) has the molecular formula C29H23N3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
PubChem CID121245061
Molecular FormulaC29H23N3S
Molecular Weight445.59 g/mol
Exact Mass445.16
IUPAC Name3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nsc(-c4ccccc4)n3)cc2)c2ccccc21
InChIInChI=1S/C29H23N3S/c1-29(2)23-12-6-8-14-25(23)32(26-15-9-7-13-24(26)29)22-18-16-20(17-19-22)27-30-28(33-31-27)21-10-4-3-5-11-21/h3-19H,1-2H3
InChIKeyWZXLPVPQISBIJM-UHFFFAOYSA-N
XLogP7.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
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
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylacridine
CID 172991970
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
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
2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 118532503
9,9-dimethyl-10-[4-[4-methyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine
CID 168805920

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole?
The IUPAC name of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole (CID 121245061) is 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole?
The canonical SMILES for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole is CC1(C)c2ccccc2N(c2ccc(-c3nsc(-c4ccccc4)n3)cc2)c2ccccc21.
What is the InChIKey of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole?
The InChIKey is WZXLPVPQISBIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3S/c1-29(2)23-12-6-8-14-25(23)32(26-15-9-7-13-24(26)29)22-18-16-20(17-19-22)27-30-28(33-31-27)21-10-4-3-5-11-21/h3-19H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole?
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole has a molecular weight of 445.59 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole is sourced from PubChem (CID 121245061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).