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

C64H45NS — CID 168840212

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C64H45NS/c1-63(2)56-27-12-9-23-51(56)53-37-36-49(41-59(53)63)65(47-34-31-42(32-35-47)50-26-16-30-61-62(50)54-25-11-14-29-60(54)66-61)48-22-15-17-43(39-48)44-33-38-58-55(40-44)52-24-10-13-28-57(52)64(58,45-18-5-3-6-19-45)46-20-7-4-8-21-46/h3-41H,1-2H3
InChIKeyLBDHJIZABYSHJH-UHFFFAOYSA-N
MW860.14 g/mol
LogP17.53
Rot. Bonds7

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

N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 168840212) has the molecular formula C64H45NS and a molecular weight of 860.14 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
PubChem CID168840212
Molecular FormulaC64H45NS
Molecular Weight860.14 g/mol
Exact Mass859.33
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc21
InChIInChI=1S/C64H45NS/c1-63(2)56-27-12-9-23-51(56)53-37-36-49(41-59(53)63)65(47-34-31-42(32-35-47)50-26-16-30-61-62(50)54-25-11-14-29-60(54)66-61)48-22-15-17-43(39-48)44-33-38-58-55(40-44)52-24-10-13-28-57(52)64(58,45-18-5-3-6-19-45)46-20-7-4-8-21-46/h3-41H,1-2H3
InChIKeyLBDHJIZABYSHJH-UHFFFAOYSA-N
XLogP17.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.14
LogP ≤ 517.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839391
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-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzothiol-1-ylphenyl)fluoren-2-amine
CID 168807521
N-(4-dibenzofuran-1-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168840177
N-(3-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 134487986
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 137448805
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
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-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 156550221

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine (CID 168840212) is N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)cc21.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is LBDHJIZABYSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NS/c1-63(2)56-27-12-9-23-51(56)53-37-36-49(41-59(53)63)65(47-34-31-42(32-35-47)50-26-16-30-61-62(50)54-25-11-14-29-60(54)66-61)48-22-15-17-43(39-48)44-33-38-58-55(40-44)52-24-10-13-28-57(52)64(58,45-18-5-3-6-19-45)46-20-7-4-8-21-46/h3-41H,1-2H3.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 860.14 g/mol, XLogP of 17.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168840212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).