2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine

C58H51NS — CID 174283536

IUPAC2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C58H51NS/c1-55(2,3)37-24-28-44-45-29-25-38(56(4,5)6)33-50(45)58(49(44)32-37)47-21-13-14-23-53(47)60-54-31-27-40(35-51(54)58)59(52-22-15-17-36-16-9-10-18-41(36)52)39-26-30-43-42-19-11-12-20-46(42)57(7,8)48(43)34-39/h9-35H,1-8H3
InChIKeyDZIIHGGYRRSEIJ-UHFFFAOYSA-N
MW794.12 g/mol
LogP16.04
Rot. Bonds3

About 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine

2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine (PubChem CID 174283536) has the molecular formula C58H51NS and a molecular weight of 794.12 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
PubChem CID174283536
Molecular FormulaC58H51NS
Molecular Weight794.12 g/mol
Exact Mass793.37
IUPAC Name2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C58H51NS/c1-55(2,3)37-24-28-44-45-29-25-38(56(4,5)6)33-50(45)58(49(44)32-37)47-21-13-14-23-53(47)60-54-31-27-40(35-51(54)58)59(52-22-15-17-36-16-9-10-18-41(36)52)39-26-30-43-42-19-11-12-20-46(42)57(7,8)48(43)34-39/h9-35H,1-8H3
InChIKeyDZIIHGGYRRSEIJ-UHFFFAOYSA-N
XLogP16.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.12
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,7-ditert-butyl-N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174290586
2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282244
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-thioxanthene]-9-amine
CID 164730805
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
2',7'-ditert-butyl-N-[2-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 174283001
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
N-(2,7-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylxanthen-2-amine
CID 174285355
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-thioxanthene]-3'-amine
CID 164794491
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309728

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine?
The IUPAC name of 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine (CID 174283536) is 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine.
What is the SMILES notation for 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine?
The canonical SMILES for 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine?
The InChIKey is DZIIHGGYRRSEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51NS/c1-55(2,3)37-24-28-44-45-29-25-38(56(4,5)6)33-50(45)58(49(44)32-37)47-21-13-14-23-53(47)60-54-31-27-40(35-51(54)58)59(52-22-15-17-36-16-9-10-18-41(36)52)39-26-30-43-42-19-11-12-20-46(42)57(7,8)48(43)34-39/h9-35H,1-8H3.
What are the key properties of 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine?
2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine has a molecular weight of 794.12 g/mol, XLogP of 16.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine is sourced from PubChem (CID 174283536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).