N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

C64H44N2S — CID 134309283

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C64H44N2S/c1-63(2)53-21-9-6-18-47(53)49-35-33-45(39-57(49)63)65(44-31-28-41(29-32-44)42-30-37-62-52(38-42)51-20-8-15-27-61(51)67-62)46-34-36-50-48-19-7-10-22-54(48)64(58(50)40-46)55-23-11-13-25-59(55)66(43-16-4-3-5-17-43)60-26-14-12-24-56(60)64/h3-40H,1-2H3
InChIKeyFTDWTLXMATXHPD-UHFFFAOYSA-N
MW873.14 g/mol
LogP17.64
Rot. Bonds5

About N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (PubChem CID 134309283) has the molecular formula C64H44N2S and a molecular weight of 873.14 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
PubChem CID134309283
Molecular FormulaC64H44N2S
Molecular Weight873.14 g/mol
Exact Mass872.32
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc21
InChIInChI=1S/C64H44N2S/c1-63(2)53-21-9-6-18-47(53)49-35-33-45(39-57(49)63)65(44-31-28-41(29-32-44)42-30-37-62-52(38-42)51-20-8-15-27-61(51)67-62)46-34-36-50-48-19-7-10-22-54(48)64(58(50)40-46)55-23-11-13-25-59(55)66(43-16-4-3-5-17-43)60-26-14-12-24-56(60)64/h3-40H,1-2H3
InChIKeyFTDWTLXMATXHPD-UHFFFAOYSA-N
XLogP17.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.14
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 158809478
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 135166696
N-(9,9-dimethylfluoren-2-yl)-14-phenyl-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463477
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 158548002
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121323471
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240509
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine (CID 134309283) is N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4N(c4ccccc4)c4ccccc43)cc21.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
The InChIKey is FTDWTLXMATXHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2S/c1-63(2)53-21-9-6-18-47(53)49-35-33-45(39-57(49)63)65(44-31-28-41(29-32-44)42-30-37-62-52(38-42)51-20-8-15-27-61(51)67-62)46-34-36-50-48-19-7-10-22-54(48)64(58(50)40-46)55-23-11-13-25-59(55)66(43-16-4-3-5-17-43)60-26-14-12-24-56(60)64/h3-40H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine has a molecular weight of 873.14 g/mol, XLogP of 17.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine is sourced from PubChem (CID 134309283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).