7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C56H43NS — CID 156549343

IUPAC7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4sc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C56H43NS/c1-55(2)49-33-40(41-24-31-47-50(34-41)56(3,4)53-48-17-11-12-18-52(48)58-54(47)53)23-30-45(49)46-32-29-44(35-51(46)55)57(42-25-19-38(20-26-42)36-13-7-5-8-14-36)43-27-21-39(22-28-43)37-15-9-6-10-16-37/h5-35H,1-4H3
InChIKeyMETRVDHTEHIYTR-UHFFFAOYSA-N
MW762.03 g/mol
LogP15.98
Rot. Bonds6

About 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 156549343) has the molecular formula C56H43NS and a molecular weight of 762.03 g/mol. Its IUPAC name is 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID156549343
Molecular FormulaC56H43NS
Molecular Weight762.03 g/mol
Exact Mass761.31
IUPAC Name7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4sc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C56H43NS/c1-55(2)49-33-40(41-24-31-47-50(34-41)56(3,4)53-48-17-11-12-18-52(48)58-54(47)53)23-30-45(49)46-32-29-44(35-51(46)55)57(42-25-19-38(20-26-42)36-13-7-5-8-14-36)43-27-21-39(22-28-43)37-15-9-6-10-16-37/h5-35H,1-4H3
InChIKeyMETRVDHTEHIYTR-UHFFFAOYSA-N
XLogP15.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.03
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 156550254
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)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 156549342
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-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 67964495
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156550065
7-dibenzothiophen-2-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90261927
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 70808776
N-[3-[3-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 156550189
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964214
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 70808719

Frequently Asked Questions

What is the IUPAC name of 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 156549343) is 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3c-4sc4ccccc34)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is METRVDHTEHIYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NS/c1-55(2)49-33-40(41-24-31-47-50(34-41)56(3,4)53-48-17-11-12-18-52(48)58-54(47)53)23-30-45(49)46-32-29-44(35-51(46)55)57(42-25-19-38(20-26-42)36-13-7-5-8-14-36)43-27-21-39(22-28-43)37-15-9-6-10-16-37/h5-35H,1-4H3.
What are the key properties of 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?
7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 762.03 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 156549343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).