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

C116H82N2OS — CID 163990371

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C58H41NO.C58H41NS/c2*1-57(2)50-24-12-9-20-44(50)47-34-32-42(36-54(47)57)59(41-30-28-39(29-31-41)38-16-5-3-6-17-38)43-33-35-48-49-23-15-27-53(56(49)60-55(48)37-43)58(40-18-7-4-8-19-40)51-25-13-10-21-45(51)46-22-11-14-26-52(46)58/h2*3-37H,1-2H3
InChIKeyUABZBIBMPNKBTE-UHFFFAOYSA-N
MW1552.01 g/mol
LogP31.25
Rot. Bonds12

About 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

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 (PubChem CID 163990371) has the molecular formula C116H82N2OS and a molecular weight of 1552.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID163990371
Molecular FormulaC116H82N2OS
Molecular Weight1552.01 g/mol
Exact Mass1550.61
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21
InChIInChI=1S/C58H41NO.C58H41NS/c2*1-57(2)50-24-12-9-20-44(50)47-34-32-42(36-54(47)57)59(41-30-28-39(29-31-41)38-16-5-3-6-17-38)43-33-35-48-49-23-15-27-53(56(49)60-55(48)37-43)58(40-18-7-4-8-19-40)51-25-13-10-21-45(51)46-22-11-14-26-52(46)58/h2*3-37H,1-2H3
InChIKeyUABZBIBMPNKBTE-UHFFFAOYSA-N
XLogP31.25
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001552.01
LogP ≤ 531.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzofuran-3-amine;6-(9-phenylfluoren-9-yl)-N,N-bis(3-phenylphenyl)dibenzothiophen-3-amine
CID 163767703
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022287
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-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 169022159
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 169022228
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
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
5-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167143424
N-dibenzofuran-3-yl-N-naphthalen-1-yl-6-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine;3-N-dibenzofuran-2-yl-6-N-naphthalen-1-yl-6-N-phenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-(9,9-dimethylfluoren-2-yl)-3-N,6-N-diphenyl-3-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene-3,6-diamine
CID 157254590
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)sc3c(C5(c6ccccc6)c6ccccc6-c6ccccc65)cccc34)cc21.
What is the InChIKey of 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?
The InChIKey is UABZBIBMPNKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO.C58H41NS/c2*1-57(2)50-24-12-9-20-44(50)47-34-32-42(36-54(47)57)59(41-30-28-39(29-31-41)38-16-5-3-6-17-38)43-33-35-48-49-23-15-27-53(56(49)60-55(48)37-43)58(40-18-7-4-8-19-40)51-25-13-10-21-45(51)46-22-11-14-26-52(46)58/h2*3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1552.01 g/mol, XLogP of 31.25, 12 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)dibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 163990371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).