N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

C59H37NS — CID 168766908

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C59H37NS/c1-2-14-39-33-42(28-27-38(39)13-1)40-15-11-17-44(34-40)60(45-18-12-16-41(35-45)43-29-32-58-52(36-43)51-22-6-10-26-57(51)61-58)46-30-31-50-49-21-5-9-25-55(49)59(56(50)37-46)53-23-7-3-19-47(53)48-20-4-8-24-54(48)59/h1-37H
InChIKeyROPIDCGEOIWFSP-UHFFFAOYSA-N
MW792.02 g/mol
LogP16.35
Rot. Bonds5

About N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 168766908) has the molecular formula C59H37NS and a molecular weight of 792.02 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID168766908
Molecular FormulaC59H37NS
Molecular Weight792.02 g/mol
Exact Mass791.26
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1
InChIInChI=1S/C59H37NS/c1-2-14-39-33-42(28-27-38(39)13-1)40-15-11-17-44(34-40)60(45-18-12-16-41(35-45)43-29-32-58-52(36-43)51-22-6-10-26-57(51)61-58)46-30-31-50-49-21-5-9-25-55(49)59(56(50)37-46)53-23-7-3-19-47(53)48-20-4-8-24-54(48)59/h1-37H
InChIKeyROPIDCGEOIWFSP-UHFFFAOYSA-N
XLogP16.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.02
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114073
5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N-(4-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N,3-diphenylaniline;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 157140091
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N,N-bis(4-dibenzothiophen-2-ylphenyl)-3-naphthalen-2-ylaniline
CID 163723915
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170042861

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 168766908) is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ROPIDCGEOIWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NS/c1-2-14-39-33-42(28-27-38(39)13-1)40-15-11-17-44(34-40)60(45-18-12-16-41(35-45)43-29-32-58-52(36-43)51-22-6-10-26-57(51)61-58)46-30-31-50-49-21-5-9-25-55(49)59(56(50)37-46)53-23-7-3-19-47(53)48-20-4-8-24-54(48)59/h1-37H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 792.02 g/mol, XLogP of 16.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 168766908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).