2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide

C75H52N2O2S — CID 142740719

IUPAC2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C(c2ccccc2)(c2ccccc2)c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C75H52N2O2S/c78-80(79)71-49-47-59(76-67-43-23-19-39-61(67)73(53-27-7-1-8-28-53,54-29-9-2-10-30-54)62-40-20-24-44-68(62)76)51-65(71)75(57-35-15-5-16-36-57,58-37-17-6-18-38-58)66-52-60(48-50-72(66)80)77-69-45-25-21-41-63(69)74(55-31-11-3-12-32-55,56-33-13-4-14-34-56)64-42-22-26-46-70(64)77/h1-52H
InChIKeyWLWSZUBRIVGESA-UHFFFAOYSA-N
MW1045.32 g/mol
LogP17.55
Rot. Bonds8

About 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide

2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide (PubChem CID 142740719) has the molecular formula C75H52N2O2S and a molecular weight of 1045.32 g/mol. Its IUPAC name is 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide.

Molecular Properties

Compound Name2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
PubChem CID142740719
Molecular FormulaC75H52N2O2S
Molecular Weight1045.32 g/mol
Exact Mass1044.37
IUPAC Name2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
SMILESO=S1(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C(c2ccccc2)(c2ccccc2)c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21
InChIInChI=1S/C75H52N2O2S/c78-80(79)71-49-47-59(76-67-43-23-19-39-61(67)73(53-27-7-1-8-28-53,54-29-9-2-10-30-54)62-40-20-24-44-68(62)76)51-65(71)75(57-35-15-5-16-36-57,58-37-17-6-18-38-58)66-52-60(48-50-72(66)80)77-69-45-25-21-41-63(69)74(55-31-11-3-12-32-55,56-33-13-4-14-34-56)64-42-22-26-46-70(64)77/h1-52H
InChIKeyWLWSZUBRIVGESA-UHFFFAOYSA-N
XLogP17.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.32
LogP ≤ 517.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-9-(9,9,10-triphenylacridin-2-yl)thioxanthene 10,10-dioxide
CID 140898981
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
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
2-(10-phenyl-9,9'-spirobi[acridine]-10'-yl)dibenzothiophene 5,5-dioxide
CID 139574739
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
CID 144851701
CID 144851701
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[6-(9,9-diphenylacridin-10-yl)-9-ethylcarbazol-3-yl]-9,9-diphenylacridine
CID 59470098
4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
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

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide?
The IUPAC name of 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide (CID 142740719) is 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide.
What is the SMILES notation for 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide?
The canonical SMILES for 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide is O=S1(=O)c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2C(c2ccccc2)(c2ccccc2)c2cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)ccc21.
What is the InChIKey of 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide?
The InChIKey is WLWSZUBRIVGESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H52N2O2S/c78-80(79)71-49-47-59(76-67-43-23-19-39-61(67)73(53-27-7-1-8-28-53,54-29-9-2-10-30-54)62-40-20-24-44-68(62)76)51-65(71)75(57-35-15-5-16-36-57,58-37-17-6-18-38-58)66-52-60(48-50-72(66)80)77-69-45-25-21-41-63(69)74(55-31-11-3-12-32-55,56-33-13-4-14-34-56)64-42-22-26-46-70(64)77/h1-52H.
What are the key properties of 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide?
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide has a molecular weight of 1045.32 g/mol, XLogP of 17.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide is sourced from PubChem (CID 142740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).