3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide

C84H68N4OS — CID 155771897

IUPAC3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)S2(=O)(c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4-3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc32)c2ccccc21
InChIInChI=1S/C84H68N4OS/c1-81(2)61-25-9-17-33-69(61)85(70-34-18-10-26-62(70)81)53-41-45-57-58-46-42-54(86-71-35-19-11-27-63(71)82(3,4)64-28-12-20-36-72(64)86)50-78(58)90(89,77(57)49-53)79-51-55(87-73-37-21-13-29-65(73)83(5,6)66-30-14-22-38-74(66)87)43-47-59(79)60-48-44-56(52-80(60)90)88-75-39-23-15-31-67(75)84(7,8)68-32-16-24-40-76(68)88/h9-52H,1-8H3
InChIKeyRHPKKYNARHGWMO-UHFFFAOYSA-N
MW1181.56 g/mol
LogP22.44
Rot. Bonds4

About 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide

3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide (PubChem CID 155771897) has the molecular formula C84H68N4OS and a molecular weight of 1181.56 g/mol. Its IUPAC name is 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide.

Molecular Properties

Compound Name3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
PubChem CID155771897
Molecular FormulaC84H68N4OS
Molecular Weight1181.56 g/mol
Exact Mass1180.51
IUPAC Name3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)S2(=O)(c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4-3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc32)c2ccccc21
InChIInChI=1S/C84H68N4OS/c1-81(2)61-25-9-17-33-69(61)85(70-34-18-10-26-62(70)81)53-41-45-57-58-46-42-54(86-71-35-19-11-27-63(71)82(3,4)64-28-12-20-36-72(64)86)50-78(58)90(89,77(57)49-53)79-51-55(87-73-37-21-13-29-65(73)83(5,6)66-30-14-22-38-74(66)87)43-47-59(79)60-48-44-56(52-80(60)90)88-75-39-23-15-31-67(75)84(7,8)68-32-16-24-40-76(68)88/h9-52H,1-8H3
InChIKeyRHPKKYNARHGWMO-UHFFFAOYSA-N
XLogP22.44
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001181.56
LogP ≤ 522.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide with MolForge

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Related Compounds

3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
9,9-dimethyl-10-(6-methyl-3-pyridinyl)acridine
CID 118881708
9,9-dimethyl-10-spiro[benzo[b][1,4]benzothiasiline-10,5'-benzo[b][1]benzosilole]-3'-ylacridine
CID 147184268
[3,5-bis[4-(9,9-dimethylacridin-10-yl)benzoyl]phenyl]-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 121420430
9,9-dimethyl-10-(3,7,7'-tritert-butyl-5,5'-spirobi[benzo[b][1]benzogermole]-3'-yl)acridine
CID 166025201
2-(9,9-dimethylacridin-10-yl)phenoxathiine 10,10-dioxide
CID 130397726
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
2-[3-(9,9-dimethylacridin-10-yl)-5-phenothiazin-10-ylphenyl]isoindole-1,3-dione
CID 130395532

Frequently Asked Questions

What is the IUPAC name of 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The IUPAC name of 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide (CID 155771897) is 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide.
What is the SMILES notation for 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The canonical SMILES for 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide is CC1(C)c2ccccc2N(c2ccc3c(c2)S2(=O)(c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc4-3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc32)c2ccccc21.
What is the InChIKey of 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The InChIKey is RHPKKYNARHGWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H68N4OS/c1-81(2)61-25-9-17-33-69(61)85(70-34-18-10-26-62(70)81)53-41-45-57-58-46-42-54(86-71-35-19-11-27-63(71)82(3,4)64-28-12-20-36-72(64)86)50-78(58)90(89,77(57)49-53)79-51-55(87-73-37-21-13-29-65(73)83(5,6)66-30-14-22-38-74(66)87)43-47-59(79)60-48-44-56(52-80(60)90)88-75-39-23-15-31-67(75)84(7,8)68-32-16-24-40-76(68)88/h9-52H,1-8H3.
What are the key properties of 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide has a molecular weight of 1181.56 g/mol, XLogP of 22.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide is sourced from PubChem (CID 155771897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).