N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

C47H33NO2S — CID 163920472

IUPACN-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESO=S1(=O)C(c2ccccc2)=CC=C1c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C47H33NO2S/c49-51(50)45(34-15-5-1-6-16-34)31-32-46(51)35-25-27-39(28-26-35)48(38-21-11-4-12-22-38)40-29-30-42-41-23-13-14-24-43(41)47(44(42)33-40,36-17-7-2-8-18-36)37-19-9-3-10-20-37/h1-33H
InChIKeyQZZOEHRUQFOQHI-UHFFFAOYSA-N
MW675.85 g/mol
LogP11.33
Rot. Bonds7

About N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine

N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (PubChem CID 163920472) has the molecular formula C47H33NO2S and a molecular weight of 675.85 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
PubChem CID163920472
Molecular FormulaC47H33NO2S
Molecular Weight675.85 g/mol
Exact Mass675.22
IUPAC NameN-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
SMILESO=S1(=O)C(c2ccccc2)=CC=C1c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C47H33NO2S/c49-51(50)45(34-15-5-1-6-16-34)31-32-46(51)35-25-27-39(28-26-35)48(38-21-11-4-12-22-38)40-29-30-42-41-23-13-14-24-43(41)47(44(42)33-40,36-17-7-2-8-18-36)37-19-9-3-10-20-37/h1-33H
InChIKeyQZZOEHRUQFOQHI-UHFFFAOYSA-N
XLogP11.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.85
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 163638104
N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 163922498
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-(3-chlorophenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90154262
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The IUPAC name of N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine (CID 163920472) is N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine.
What is the SMILES notation for N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The canonical SMILES for N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is O=S1(=O)C(c2ccccc2)=CC=C1c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
The InChIKey is QZZOEHRUQFOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO2S/c49-51(50)45(34-15-5-1-6-16-34)31-32-46(51)35-25-27-39(28-26-35)48(38-21-11-4-12-22-38)40-29-30-42-41-23-13-14-24-43(41)47(44(42)33-40,36-17-7-2-8-18-36)37-19-9-3-10-20-37/h1-33H.
What are the key properties of N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine?
N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine has a molecular weight of 675.85 g/mol, XLogP of 11.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-5-phenylthiophen-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine is sourced from PubChem (CID 163920472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).