2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide

C72H48N4OS — CID 155771971

IUPAC2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESO=S12(c3ccccc3-c3cc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc31)c1ccccc1-c1cc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)ccc12
InChIInChI=1S/C72H48N4OS/c77-78(69-33-17-7-23-57(69)59-47-51(39-45-71(59)78)49-35-41-55(42-36-49)75-65-29-13-9-25-61(65)73(53-19-3-1-4-20-53)62-26-10-14-30-66(62)75)70-34-18-8-24-58(70)60-48-52(40-46-72(60)78)50-37-43-56(44-38-50)76-67-31-15-11-27-63(67)74(54-21-5-2-6-22-54)64-28-12-16-32-68(64)76/h1-48H
InChIKeyMYCKHNUMKHHZAV-UHFFFAOYSA-N
MW1017.27 g/mol
LogP19.84
Rot. Bonds6

About 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide

2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide (PubChem CID 155771971) has the molecular formula C72H48N4OS and a molecular weight of 1017.27 g/mol. Its IUPAC name is 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide.

Molecular Properties

Compound Name2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide
PubChem CID155771971
Molecular FormulaC72H48N4OS
Molecular Weight1017.27 g/mol
Exact Mass1016.35
IUPAC Name2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide
SMILESO=S12(c3ccccc3-c3cc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc31)c1ccccc1-c1cc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)ccc12
InChIInChI=1S/C72H48N4OS/c77-78(69-33-17-7-23-57(69)59-47-51(39-45-71(59)78)49-35-41-55(42-36-49)75-65-29-13-9-25-61(65)73(53-19-3-1-4-20-53)62-26-10-14-30-66(62)75)70-34-18-8-24-58(70)60-48-52(40-46-72(60)78)50-37-43-56(44-38-50)76-67-31-15-11-27-63(67)74(54-21-5-2-6-22-54)64-28-12-16-32-68(64)76/h1-48H
InChIKeyMYCKHNUMKHHZAV-UHFFFAOYSA-N
XLogP19.84
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.27
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2'-bis(4-phenothiazin-10-ylphenyl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155772051
2,2',8,8'-tetrakis(10-phenylbenzo[b][1,4]benzazaborinin-5-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771901
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;vanadium
CID 159673552
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenylisoindole-1,3-dione
CID 130395517
14-phenyl-10-triphenylen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 121400635
11-[4-[4-(5,6-dimethylbenzo[b][1]benzazepin-11-yl)phenyl]phenyl]-5,6-dimethylbenzo[b][1]benzazepine
CID 18740114
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
3,3',7,7'-tetrakis(9,9-dimethylacridin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771897
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216161

Frequently Asked Questions

What is the IUPAC name of 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide?
The IUPAC name of 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide (CID 155771971) is 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide.
What is the SMILES notation for 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide?
The canonical SMILES for 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide is O=S12(c3ccccc3-c3cc(-c4ccc(N5c6ccccc6N(c6ccccc6)c6ccccc65)cc4)ccc31)c1ccccc1-c1cc(-c3ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)cc3)ccc12.
What is the InChIKey of 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide?
The InChIKey is MYCKHNUMKHHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4OS/c77-78(69-33-17-7-23-57(69)59-47-51(39-45-71(59)78)49-35-41-55(42-36-49)75-65-29-13-9-25-61(65)73(53-19-3-1-4-20-53)62-26-10-14-30-66(62)75)70-34-18-8-24-58(70)60-48-52(40-46-72(60)78)50-37-43-56(44-38-50)76-67-31-15-11-27-63(67)74(54-21-5-2-6-22-54)64-28-12-16-32-68(64)76/h1-48H.
What are the key properties of 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide?
2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide has a molecular weight of 1017.27 g/mol, XLogP of 19.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2'-bis[4-(10-phenylphenazin-5-yl)phenyl]-5,5'-spirobi[dibenzothiophene] 5-oxide is sourced from PubChem (CID 155771971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).