N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine

C58H41NS — CID 176624728

IUPACN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc21
InChIInChI=1S/C58H41NS/c1-57(2)49-28-13-9-24-44(49)47-33-32-42(37-52(47)57)59(53-35-34-43(38-18-5-3-6-19-38)56-55(53)48-27-12-16-31-54(48)60-56)41-23-17-22-40(36-41)58(39-20-7-4-8-21-39)50-29-14-10-25-45(50)46-26-11-15-30-51(46)58/h3-37H,1-2H3
InChIKeyYLDXAMPQRFQJRD-UHFFFAOYSA-N
MW784.04 g/mol
LogP15.86
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine

N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 176624728) has the molecular formula C58H41NS and a molecular weight of 784.04 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
PubChem CID176624728
Molecular FormulaC58H41NS
Molecular Weight784.04 g/mol
Exact Mass783.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc21
InChIInChI=1S/C58H41NS/c1-57(2)49-28-13-9-24-44(49)47-33-32-42(37-52(47)57)59(53-35-34-43(38-18-5-3-6-19-38)56-55(53)48-27-12-16-31-54(48)60-56)41-23-17-22-40(36-41)58(39-20-7-4-8-21-39)50-29-14-10-25-45(50)46-26-11-15-30-51(46)58/h3-37H,1-2H3
InChIKeyYLDXAMPQRFQJRD-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.04
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
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-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847919
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzothiophen-1-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158728666
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
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
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 168847706
N-(4-cyclohexylphenyl)-4-phenyl-N-[3-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-1-amine
CID 176624734
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine (CID 176624728) is N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc(-c4ccccc4)c4sc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is YLDXAMPQRFQJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS/c1-57(2)49-28-13-9-24-44(49)47-33-32-42(37-52(47)57)59(53-35-34-43(38-18-5-3-6-19-38)56-55(53)48-27-12-16-31-54(48)60-56)41-23-17-22-40(36-41)58(39-20-7-4-8-21-39)50-29-14-10-25-45(50)46-26-11-15-30-51(46)58/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine?
N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 784.04 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 176624728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).