N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline

C113H78N2S2 — CID 163666886

IUPACN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6c(C7(c8ccccc8)c8ccccc8-c8ccccc87)cccc6c45)c3)cc2)cc1
InChIInChI=1S/C58H41NS.C55H37NS/c1-57(2)49-26-12-9-21-43(49)46-36-35-42(37-53(46)57)59(41-33-31-39(32-34-41)38-17-5-3-6-18-38)54-30-16-25-48-47-24-15-29-52(55(47)60-56(48)54)58(40-19-7-4-8-20-40)50-27-13-10-22-44(50)45-23-11-14-28-51(45)58;1-4-17-38(18-5-1)39-33-35-43(36-34-39)56(42-22-8-3-9-23-42)44-24-14-19-40(37-44)45-27-16-32-52-53(45)48-28-15-31-51(54(48)57-52)55(41-20-6-2-7-21-41)49-29-12-10-25-46(49)47-26-11-13-30-50(47)55/h3-37H,1-2H3;1-37H
InChIKeyIZFTYRHLDCWLBU-UHFFFAOYSA-N
MW1528.02 g/mol
LogP31.08
Rot. Bonds13

About N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline

N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline (PubChem CID 163666886) has the molecular formula C113H78N2S2 and a molecular weight of 1528.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
PubChem CID163666886
Molecular FormulaC113H78N2S2
Molecular Weight1528.02 g/mol
Exact Mass1526.56
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6c(C7(c8ccccc8)c8ccccc8-c8ccccc87)cccc6c45)c3)cc2)cc1
InChIInChI=1S/C58H41NS.C55H37NS/c1-57(2)49-26-12-9-21-43(49)46-36-35-42(37-53(46)57)59(41-33-31-39(32-34-41)38-17-5-3-6-18-38)54-30-16-25-48-47-24-15-29-52(55(47)60-56(48)54)58(40-19-7-4-8-20-40)50-27-13-10-22-44(50)45-23-11-14-28-51(45)58;1-4-17-38(18-5-1)39-33-35-43(36-34-39)56(42-22-8-3-9-23-42)44-24-14-19-40(37-44)45-27-16-32-52-53(45)48-28-15-31-51(54(48)57-52)55(41-20-6-2-7-21-41)49-29-12-10-25-46(49)47-26-11-13-30-50(47)55/h3-37H,1-2H3;1-37H
InChIKeyIZFTYRHLDCWLBU-UHFFFAOYSA-N
XLogP31.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.02
LogP ≤ 531.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

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-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 118298078
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-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168840212
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 163990371
N,N-bis(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)dibenzofuran-3-amine;N-[4-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 163533094
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381453
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-phenyldibenzothiophen-3-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159294805
5-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 138519580
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-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline (CID 163666886) is N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc5sc6c(C7(c8ccccc8)c8ccccc8-c8ccccc87)cccc6c45)c3)cc2)cc1.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is IZFTYRHLDCWLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NS.C55H37NS/c1-57(2)49-26-12-9-21-43(49)46-36-35-42(37-53(46)57)59(41-33-31-39(32-34-41)38-17-5-3-6-18-38)54-30-16-25-48-47-24-15-29-52(55(47)60-56(48)54)58(40-19-7-4-8-20-40)50-27-13-10-22-44(50)45-23-11-14-28-51(45)58;1-4-17-38(18-5-1)39-33-35-43(36-34-39)56(42-22-8-3-9-23-42)44-24-14-19-40(37-44)45-27-16-32-52-53(45)48-28-15-31-51(54(48)57-52)55(41-20-6-2-7-21-41)49-29-12-10-25-46(49)47-26-11-13-30-50(47)55/h3-37H,1-2H3;1-37H.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline?
N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 1528.02 g/mol, XLogP of 31.08, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine;N-phenyl-3-[6-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163666886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).