N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine

C62H43NS — CID 177281133

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C62H43NS/c1-61(2)52-26-14-11-23-47(52)49-33-31-45(38-54(49)61)63(56-35-36-58-60(51-25-13-16-28-57(51)64-58)59(56)42-30-29-40-17-9-10-18-41(40)37-42)46-32-34-50-48-24-12-15-27-53(48)62(55(50)39-46,43-19-5-3-6-20-43)44-21-7-4-8-22-44/h3-39H,1-2H3
InChIKeyBLYPYLKMKPOWTB-UHFFFAOYSA-N
MW834.10 g/mol
LogP17.01
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine (PubChem CID 177281133) has the molecular formula C62H43NS and a molecular weight of 834.10 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
PubChem CID177281133
Molecular FormulaC62H43NS
Molecular Weight834.10 g/mol
Exact Mass833.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C62H43NS/c1-61(2)52-26-14-11-23-47(52)49-33-31-45(38-54(49)61)63(56-35-36-58-60(51-25-13-16-28-57(51)64-58)59(56)42-30-29-40-17-9-10-18-41(40)37-42)46-32-34-50-48-24-12-15-27-53(48)62(55(50)39-46,43-19-5-3-6-20-43)44-21-7-4-8-22-44/h3-39H,1-2H3
InChIKeyBLYPYLKMKPOWTB-UHFFFAOYSA-N
XLogP17.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.10
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177281437
N-(9,9-dimethylfluoren-2-yl)-1-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 177280656
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-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-naphthalen-2-yl-12-phenylfluoreno[2,3-b][1]benzothiol-9-amine
CID 171401772
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 156522498
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-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170043365
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156522863
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-1-amine
CID 164774642
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine (CID 177281133) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3-c3ccc4ccccc4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine?
The InChIKey is BLYPYLKMKPOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NS/c1-61(2)52-26-14-11-23-47(52)49-33-31-45(38-54(49)61)63(56-35-36-58-60(51-25-13-16-28-57(51)64-58)59(56)42-30-29-40-17-9-10-18-41(40)37-42)46-32-34-50-48-24-12-15-27-53(48)62(55(50)39-46,43-19-5-3-6-20-43)44-21-7-4-8-22-44/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine has a molecular weight of 834.10 g/mol, XLogP of 17.01, 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)-N-(9,9-diphenylfluoren-2-yl)-1-naphthalen-2-yldibenzothiophen-2-amine is sourced from PubChem (CID 177281133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).