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

C41H30N4S — CID 126731320

IUPAC2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4cc5c(cc4s3)nc(-c3ccccc3)n5-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C41H30N4S/c1-41(2)31-17-9-11-19-35(31)44(36-20-12-10-18-32(36)41)30-23-21-28(22-24-30)40-43-34-25-37-33(26-38(34)46-40)42-39(27-13-5-3-6-14-27)45(37)29-15-7-4-8-16-29/h3-26H,1-2H3
InChIKeyXRIBHEOTSJXSNF-UHFFFAOYSA-N
MW610.79 g/mol
LogP11.08
Rot. Bonds4

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

2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole (PubChem CID 126731320) has the molecular formula C41H30N4S and a molecular weight of 610.79 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
PubChem CID126731320
Molecular FormulaC41H30N4S
Molecular Weight610.79 g/mol
Exact Mass610.22
IUPAC Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
SMILESCC1(C)c2ccccc2N(c2ccc(-c3nc4cc5c(cc4s3)nc(-c3ccccc3)n5-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C41H30N4S/c1-41(2)31-17-9-11-19-35(31)44(36-20-12-10-18-32(36)41)30-23-21-28(22-24-30)40-43-34-25-37-33(26-38(34)46-40)42-39(27-13-5-3-6-14-27)45(37)29-15-7-4-8-16-29/h3-26H,1-2H3
InChIKeyXRIBHEOTSJXSNF-UHFFFAOYSA-N
XLogP11.08
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.79
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenyl-2-[4-(2-phenylbenzimidazol-1-yl)phenyl]acridine;ethane
CID 158720213
14,14-dimethyl-10-phenyl-21-[4-(1-phenylbenzimidazol-2-yl)phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 66805197
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-(1,3-benzothiazol-2-yl)-5-(9,9-dimethylacridin-10-yl)phenyl]-1,3-benzothiazole;10-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-9,9-dimethylacridine;2-[3-(9,9-dimethylacridin-10-yl)-5-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 160956737
9,9-dimethyl-10-[8-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]acridine
CID 71007109
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
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244961
10-[4-(1,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-9,9-dimethylacridine
CID 121244948
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole?
The IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole (CID 126731320) is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole.
What is the SMILES notation for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole?
The canonical SMILES for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole is CC1(C)c2ccccc2N(c2ccc(-c3nc4cc5c(cc4s3)nc(-c3ccccc3)n5-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole?
The InChIKey is XRIBHEOTSJXSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4S/c1-41(2)31-17-9-11-19-35(31)44(36-20-12-10-18-32(36)41)30-23-21-28(22-24-30)40-43-34-25-37-33(26-38(34)46-40)42-39(27-13-5-3-6-14-27)45(37)29-15-7-4-8-16-29/h3-26H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole?
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole has a molecular weight of 610.79 g/mol, XLogP of 11.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole is sourced from PubChem (CID 126731320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).