N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

C54H39NS — CID 156550221

IUPACN-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)ccc2-c2sc3ccccc3c21
InChIInChI=1S/C54H39NS/c1-53(2)48-34-37(29-31-45(48)52-51(53)46-26-13-15-28-50(46)56-52)36-17-16-24-41(33-36)55(40-22-10-5-11-23-40)42-30-32-44-43-25-12-14-27-47(43)54(49(44)35-42,38-18-6-3-7-19-38)39-20-8-4-9-21-39/h3-35H,1-2H3
InChIKeyWJGIMNAJTFIYNT-UHFFFAOYSA-N
MW733.98 g/mol
LogP14.71
Rot. Bonds6

About N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 156550221) has the molecular formula C54H39NS and a molecular weight of 733.98 g/mol. Its IUPAC name is N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID156550221
Molecular FormulaC54H39NS
Molecular Weight733.98 g/mol
Exact Mass733.28
IUPAC NameN-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)ccc2-c2sc3ccccc3c21
InChIInChI=1S/C54H39NS/c1-53(2)48-34-37(29-31-45(48)52-51(53)46-26-13-15-28-50(46)56-52)36-17-16-24-41(33-36)55(40-22-10-5-11-23-40)42-30-32-44-43-25-12-14-27-47(43)54(49(44)35-42,38-18-6-3-7-19-38)39-20-8-4-9-21-39/h3-35H,1-2H3
InChIKeyWJGIMNAJTFIYNT-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.98
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine with MolForge

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Related Compounds

N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 156549343
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 156550254
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-phenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2-amine
CID 134551462
N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 156550210
N-(3-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-9-phenylfluoren-2-amine
CID 171453606
N-(3,4-diphenylphenyl)-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551386
bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-amine);bis(N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine)
CID 159889850

Frequently Asked Questions

What is the IUPAC name of N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (CID 156550221) is N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is CC1(C)c2cc(-c3cccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)ccc2-c2sc3ccccc3c21.
What is the InChIKey of N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is WJGIMNAJTFIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NS/c1-53(2)48-34-37(29-31-45(48)52-51(53)46-26-13-15-28-50(46)56-52)36-17-16-24-41(33-36)55(40-22-10-5-11-23-40)42-30-32-44-43-25-12-14-27-47(43)54(49(44)35-42,38-18-6-3-7-19-38)39-20-8-4-9-21-39/h3-35H,1-2H3.
What are the key properties of N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 733.98 g/mol, XLogP of 14.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 156550221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).