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

C54H40N6S2 — CID 129148134

IUPAC2-[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
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4nc5cccnc5s4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc(-c3nc4cccnc4s3)c2)c2ccccc21
InChIInChI=1S/C54H40N6S2/c1-53(2)39-15-5-9-21-45(39)59(46-22-10-6-16-40(46)53)37-29-33(27-35(31-37)49-57-43-19-13-25-55-51(43)61-49)34-28-36(50-58-44-20-14-26-56-52(44)62-50)32-38(30-34)60-47-23-11-7-17-41(47)54(3,4)42-18-8-12-24-48(42)60/h5-32H,1-4H3
InChIKeyQPOKAQODPIOMAS-UHFFFAOYSA-N
MW837.09 g/mol
LogP14.92
Rot. Bonds5

About 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

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 (PubChem CID 129148134) has the molecular formula C54H40N6S2 and a molecular weight of 837.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID129148134
Molecular FormulaC54H40N6S2
Molecular Weight837.09 g/mol
Exact Mass836.28
IUPAC Name2-[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
SMILESCC1(C)c2ccccc2N(c2cc(-c3cc(-c4nc5cccnc5s4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc(-c3nc4cccnc4s3)c2)c2ccccc21
InChIInChI=1S/C54H40N6S2/c1-53(2)39-15-5-9-21-45(39)59(46-22-10-6-16-40(46)53)37-29-33(27-35(31-37)49-57-43-19-13-25-55-51(43)61-49)34-28-36(50-58-44-20-14-26-56-52(44)62-50)32-38(30-34)60-47-23-11-7-17-41(47)54(3,4)42-18-8-12-24-48(42)60/h5-32H,1-4H3
InChIKeyQPOKAQODPIOMAS-UHFFFAOYSA-N
XLogP14.92
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.09
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
2,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 118532503
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
2-[4-[4-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 160525269
2-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 159691466
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
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
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
3-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-2-carbonitrile
CID 146542714
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5,6-diphenylimidazo[4,5-f][1,3]benzothiazole
CID 126731320

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2N(c2cc(-c3cc(-c4nc5cccnc5s4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc(-c3nc4cccnc4s3)c2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is QPOKAQODPIOMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N6S2/c1-53(2)39-15-5-9-21-45(39)59(46-22-10-6-16-40(46)53)37-29-33(27-35(31-37)49-57-43-19-13-25-55-51(43)61-49)34-28-36(50-58-44-20-14-26-56-52(44)62-50)32-38(30-34)60-47-23-11-7-17-41(47)54(3,4)42-18-8-12-24-48(42)60/h5-32H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 837.09 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129148134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).