10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]

C67H42N2S2 — CID 118465174

IUPAC10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccccc42)c2ccccc2N3c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C67H42N2S2/c1-2-16-43(17-3-1)46-36-41-60-56(42-46)67(55-24-8-11-27-59(55)69(60)48-39-34-45(35-40-48)50-21-15-31-64-66(50)52-19-5-13-29-62(52)71-64)53-22-6-9-25-57(53)68(58-26-10-7-23-54(58)67)47-37-32-44(33-38-47)49-20-14-30-63-65(49)51-18-4-12-28-61(51)70-63/h1-42H
InChIKeyHGXKBCCPUDQWFZ-UHFFFAOYSA-N
MW939.22 g/mol
LogP19.37
Rot. Bonds5

About 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]

10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine] (PubChem CID 118465174) has the molecular formula C67H42N2S2 and a molecular weight of 939.22 g/mol. Its IUPAC name is 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
PubChem CID118465174
Molecular FormulaC67H42N2S2
Molecular Weight939.22 g/mol
Exact Mass938.28
IUPAC Name10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccccc42)c2ccccc2N3c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C67H42N2S2/c1-2-16-43(17-3-1)46-36-41-60-56(42-46)67(55-24-8-11-27-59(55)69(60)48-39-34-45(35-40-48)50-21-15-31-64-66(50)52-19-5-13-29-62(52)71-64)53-22-6-9-25-57(53)68(58-26-10-7-23-54(58)67)47-37-32-44(33-38-47)49-20-14-30-63-65(49)51-18-4-12-28-61(51)70-63/h1-42H
InChIKeyHGXKBCCPUDQWFZ-UHFFFAOYSA-N
XLogP19.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.22
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
2-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenyl-10-(4-phenylphenyl)acridine
CID 71003881
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
13-(3-dibenzothiophen-1-ylphenyl)-17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 139568110
1-(4-triphenylen-2-ylphenyl)dibenzothiophene
CID 118231149
ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670475
3'-[(4-dibenzothiophen-2-ylphenyl)-(4-phenylphenyl)methyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139353933
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
N-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 160663458

Frequently Asked Questions

What is the IUPAC name of 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]?
The IUPAC name of 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine] (CID 118465174) is 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine].
What is the SMILES notation for 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]?
The canonical SMILES for 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4ccccc42)c2ccccc2N3c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]?
The InChIKey is HGXKBCCPUDQWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2S2/c1-2-16-43(17-3-1)46-36-41-60-56(42-46)67(55-24-8-11-27-59(55)69(60)48-39-34-45(35-40-48)50-21-15-31-64-66(50)52-19-5-13-29-62(52)71-64)53-22-6-9-25-57(53)68(58-26-10-7-23-54(58)67)47-37-32-44(33-38-47)49-20-14-30-63-65(49)51-18-4-12-28-61(51)70-63/h1-42H.
What are the key properties of 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]?
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine] has a molecular weight of 939.22 g/mol, XLogP of 19.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).