2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C50H38N4S2 — CID 118532503

IUPAC2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4cc5sc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)nc5cc4s3)cc2)c2ccccc21
InChIInChI=1S/C50H38N4S2/c1-49(2)35-13-5-9-17-41(35)53(42-18-10-6-14-36(42)49)33-25-21-31(22-26-33)47-51-39-29-46-40(30-45(39)55-47)52-48(56-46)32-23-27-34(28-24-32)54-43-19-11-7-15-37(43)50(3,4)38-16-8-12-20-44(38)54/h5-30H,1-4H3
InChIKeyFCYQYVKRIFZVOX-UHFFFAOYSA-N
MW759.02 g/mol
LogP14.46
Rot. Bonds4

About 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 118532503) has the molecular formula C50H38N4S2 and a molecular weight of 759.02 g/mol. Its IUPAC name is 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID118532503
Molecular FormulaC50H38N4S2
Molecular Weight759.02 g/mol
Exact Mass758.25
IUPAC Name2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4cc5sc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)nc5cc4s3)cc2)c2ccccc21
InChIInChI=1S/C50H38N4S2/c1-49(2)35-13-5-9-17-41(35)53(42-18-10-6-14-36(42)49)33-25-21-31(22-26-33)47-51-39-29-46-40(30-45(39)55-47)52-48(56-46)32-23-27-34(28-24-32)54-43-19-11-7-15-37(43)50(3,4)38-16-8-12-20-44(38)54/h5-30H,1-4H3
InChIKeyFCYQYVKRIFZVOX-UHFFFAOYSA-N
XLogP14.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.02
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Related Compounds

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
CID 126731320
2-[3-[3-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole
CID 129148175
2-[3-(9,9-dimethylacridin-10-yl)-5-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 129148134
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
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-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 118532503) is 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is CC1(C)c2ccccc2N(c2ccc(-c3nc4cc5sc(-c6ccc(N7c8ccccc8C(C)(C)c8ccccc87)cc6)nc5cc4s3)cc2)c2ccccc21.
What is the InChIKey of 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is FCYQYVKRIFZVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4S2/c1-49(2)35-13-5-9-17-41(35)53(42-18-10-6-14-36(42)49)33-25-21-31(22-26-33)47-51-39-29-46-40(30-45(39)55-47)52-48(56-46)32-23-27-34(28-24-32)54-43-19-11-7-15-37(43)50(3,4)38-16-8-12-20-44(38)54/h5-30H,1-4H3.
What are the key properties of 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 759.02 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 118532503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).