2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide

C43H28N2O2S — CID 139574739

IUPAC2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21
InChIInChI=1S/C43H28N2O2S/c46-48(47)41-25-13-4-16-31(41)32-28-30(26-27-42(32)48)45-39-23-11-7-19-35(39)43(36-20-8-12-24-40(36)45)33-17-5-9-21-37(33)44(29-14-2-1-3-15-29)38-22-10-6-18-34(38)43/h1-28H
InChIKeyFFCVYSGWKRLIDI-UHFFFAOYSA-N
MW636.78 g/mol
LogP10.45
Rot. Bonds2

About 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide

2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide (PubChem CID 139574739) has the molecular formula C43H28N2O2S and a molecular weight of 636.78 g/mol. Its IUPAC name is 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
PubChem CID139574739
Molecular FormulaC43H28N2O2S
Molecular Weight636.78 g/mol
Exact Mass636.19
IUPAC Name2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21
InChIInChI=1S/C43H28N2O2S/c46-48(47)41-25-13-4-16-31(41)32-28-30(26-27-42(32)48)45-39-23-11-7-19-35(39)43(36-20-8-12-24-40(36)45)33-17-5-9-21-37(33)44(29-14-2-1-3-15-29)38-22-10-6-18-34(38)43/h1-28H
InChIKeyFFCVYSGWKRLIDI-UHFFFAOYSA-N
XLogP10.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.78
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
CID 144851701
CID 144851701
2-[6-(9,9-dimethylacridin-10-yl)-9,9-dimethylxanthen-3-yl]dibenzothiophene 5,5-dioxide
CID 134579078
3-[5-(10,10-dioxothianthren-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]thianthrene 5,5-dioxide
CID 130396377
2-[5-(10,10-dioxophenoxathiin-2-yl)-7,7,14,14-tetraphenylquinolino[2,3-b]acridin-12-yl]phenoxathiine 10,10-dioxide
CID 130396372
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide
CID 140938168
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-phenyl-5'-pyridin-4-ylspiro[acridine-9,8'-indeno[2,1-c]phenothiazine] 13',13'-dioxide
CID 163588404
3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
CID 158758240
10-triphenylen-2-ylphenothiazine 5,5-dioxide
CID 141391084

Frequently Asked Questions

What is the IUPAC name of 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide (CID 139574739) is 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cc(N3c4ccccc4C4(c5ccccc5N(c5ccccc5)c5ccccc54)c4ccccc43)ccc21.
What is the InChIKey of 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide?
The InChIKey is FFCVYSGWKRLIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O2S/c46-48(47)41-25-13-4-16-31(41)32-28-30(26-27-42(32)48)45-39-23-11-7-19-35(39)43(36-20-8-12-24-40(36)45)33-17-5-9-21-37(33)44(29-14-2-1-3-15-29)38-22-10-6-18-34(38)43/h1-28H.
What are the key properties of 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide?
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide has a molecular weight of 636.78 g/mol, XLogP of 10.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 139574739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).