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

C73H46N2S2 — CID 118465119

IUPAC10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4N3c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C73H46N2S2/c1-3-17-47(18-4-1)51-37-43-67-63(45-51)73(61-27-9-11-29-65(61)74(67)53-39-33-49(34-40-53)55-23-15-25-59-57-21-7-13-31-69(57)76-71(55)59)62-28-10-12-30-66(62)75(68-44-38-52(46-64(68)73)48-19-5-2-6-20-48)54-41-35-50(36-42-54)56-24-16-26-60-58-22-8-14-32-70(58)77-72(56)60/h1-46H
InChIKeyVZPJKLQYQOCLOF-UHFFFAOYSA-N
MW1015.32 g/mol
LogP21.04
Rot. Bonds6

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

10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] (PubChem CID 118465119) has the molecular formula C73H46N2S2 and a molecular weight of 1015.32 g/mol. Its IUPAC name is 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
PubChem CID118465119
Molecular FormulaC73H46N2S2
Molecular Weight1015.32 g/mol
Exact Mass1014.31
IUPAC Name10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4N3c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4ccccc4)cc32)cc1
InChIInChI=1S/C73H46N2S2/c1-3-17-47(18-4-1)51-37-43-67-63(45-51)73(61-27-9-11-29-65(61)74(67)53-39-33-49(34-40-53)55-23-15-25-59-57-21-7-13-31-69(57)76-71(55)59)62-28-10-12-30-66(62)75(68-44-38-52(46-64(68)73)48-19-5-2-6-20-48)54-41-35-50(36-42-54)56-24-16-26-60-58-22-8-14-32-70(58)77-72(56)60/h1-46H
InChIKeyVZPJKLQYQOCLOF-UHFFFAOYSA-N
XLogP21.04
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.32
LogP ≤ 521.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] with MolForge

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Related Compounds

10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
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
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
N-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166813
N-(2-dibenzothiophen-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-3'-amine
CID 167176269
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
8-(4-dibenzothiophen-4-ylphenyl)-14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 153317191
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736

Frequently Asked Questions

What is the IUPAC name of 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]?
The IUPAC name of 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] (CID 118465119) is 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine].
What is the SMILES notation for 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]?
The canonical SMILES for 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4N3c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccccc3N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4ccccc4)cc32)cc1.
What is the InChIKey of 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]?
The InChIKey is VZPJKLQYQOCLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2S2/c1-3-17-47(18-4-1)51-37-43-67-63(45-51)73(61-27-9-11-29-65(61)74(67)53-39-33-49(34-40-53)55-23-15-25-59-57-21-7-13-31-69(57)76-71(55)59)62-28-10-12-30-66(62)75(68-44-38-52(46-64(68)73)48-19-5-2-6-20-48)54-41-35-50(36-42-54)56-24-16-26-60-58-22-8-14-32-70(58)77-72(56)60/h1-46H.
What are the key properties of 10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]?
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] has a molecular weight of 1015.32 g/mol, XLogP of 21.04, 6 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-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine] is sourced from PubChem (CID 118465119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).