2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide

C72H44N4O5S — CID 155771876

IUPAC2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESO=S12(c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(N4c5ccccc5Oc5ccccc54)ccc31)c1ccc(N3c4ccccc4Oc4ccccc43)cc1-c1cc(N3c4ccccc4Oc4ccccc43)ccc12
InChIInChI=1S/C72H44N4O5S/c77-82(69-37-33-45(73-53-17-1-9-25-61(53)78-62-26-10-2-18-54(62)73)41-49(69)50-42-46(34-38-70(50)82)74-55-19-3-11-27-63(55)79-64-28-12-4-20-56(64)74)71-39-35-47(75-57-21-5-13-29-65(57)80-66-30-14-6-22-58(66)75)43-51(71)52-44-48(36-40-72(52)82)76-59-23-7-15-31-67(59)81-68-32-16-8-24-60(68)76/h1-44H
InChIKeyWVBWAMZBAUJGQE-UHFFFAOYSA-N
MW1077.23 g/mol
LogP20.31
Rot. Bonds4

About 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide

2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide (PubChem CID 155771876) has the molecular formula C72H44N4O5S and a molecular weight of 1077.23 g/mol. Its IUPAC name is 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide.

Molecular Properties

Compound Name2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
PubChem CID155771876
Molecular FormulaC72H44N4O5S
Molecular Weight1077.23 g/mol
Exact Mass1076.30
IUPAC Name2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESO=S12(c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(N4c5ccccc5Oc5ccccc54)ccc31)c1ccc(N3c4ccccc4Oc4ccccc43)cc1-c1cc(N3c4ccccc4Oc4ccccc43)ccc12
InChIInChI=1S/C72H44N4O5S/c77-82(69-37-33-45(73-53-17-1-9-25-61(53)78-62-26-10-2-18-54(62)73)41-49(69)50-42-46(34-38-70(50)82)74-55-19-3-11-27-63(55)79-64-28-12-4-20-56(64)74)71-39-35-47(75-57-21-5-13-29-65(57)80-66-30-14-6-22-58(66)75)43-51(71)52-44-48(36-40-72(52)82)76-59-23-7-15-31-67(59)81-68-32-16-8-24-60(68)76/h1-44H
InChIKeyWVBWAMZBAUJGQE-UHFFFAOYSA-N
XLogP20.31
TPSA66.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.23
LogP ≤ 520.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
2,2',8,8'-tetrakis(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771901
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
CID 146495452
CID 146495452
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
3-[3-cyano-2,5-di(phenoxazin-10-yl)phenyl]-2,5-di(phenoxazin-10-yl)benzonitrile
CID 135273556

Frequently Asked Questions

What is the IUPAC name of 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The IUPAC name of 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide (CID 155771876) is 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide.
What is the SMILES notation for 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The canonical SMILES for 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide is O=S12(c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3cc(N4c5ccccc5Oc5ccccc54)ccc31)c1ccc(N3c4ccccc4Oc4ccccc43)cc1-c1cc(N3c4ccccc4Oc4ccccc43)ccc12.
What is the InChIKey of 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
The InChIKey is WVBWAMZBAUJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H44N4O5S/c77-82(69-37-33-45(73-53-17-1-9-25-61(53)78-62-26-10-2-18-54(62)73)41-49(69)50-42-46(34-38-70(50)82)74-55-19-3-11-27-63(55)79-64-28-12-4-20-56(64)74)71-39-35-47(75-57-21-5-13-29-65(57)80-66-30-14-6-22-58(66)75)43-51(71)52-44-48(36-40-72(52)82)76-59-23-7-15-31-67(59)81-68-32-16-8-24-60(68)76/h1-44H.
What are the key properties of 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide?
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide has a molecular weight of 1077.23 g/mol, XLogP of 20.31, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide is sourced from PubChem (CID 155771876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).