N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline

C54H34F6N4S2 — CID 171792540

IUPACN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline
SMILESFC(F)(F)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3c(-c4ccc(C(F)(F)F)nc4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc23)cn1
InChIInChI=1S/C54H34F6N4S2/c55-53(56,57)45-31-25-37(33-61-45)47-49(35-21-27-43(28-22-35)63(39-13-5-1-6-14-39)40-15-7-2-8-16-40)65-52-48(38-26-32-46(62-34-38)54(58,59)60)50(66-51(47)52)36-23-29-44(30-24-36)64(41-17-9-3-10-18-41)42-19-11-4-12-20-42/h1-34H
InChIKeyANXXGHLCMFWEEX-UHFFFAOYSA-N
MW917.02 g/mol
LogP17.40
Rot. Bonds10

About N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline (PubChem CID 171792540) has the molecular formula C54H34F6N4S2 and a molecular weight of 917.02 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline
PubChem CID171792540
Molecular FormulaC54H34F6N4S2
Molecular Weight917.02 g/mol
Exact Mass916.21
IUPAC NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline
SMILESFC(F)(F)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3c(-c4ccc(C(F)(F)F)nc4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc23)cn1
InChIInChI=1S/C54H34F6N4S2/c55-53(56,57)45-31-25-37(33-61-45)47-49(35-21-27-43(28-22-35)63(39-13-5-1-6-14-39)40-15-7-2-8-16-40)65-52-48(38-26-32-46(62-34-38)54(58,59)60)50(66-51(47)52)36-23-29-44(30-24-36)64(41-17-9-3-10-18-41)42-19-11-4-12-20-42/h1-34H
InChIKeyANXXGHLCMFWEEX-UHFFFAOYSA-N
XLogP17.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.02
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline with MolForge

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Related Compounds

4-[5-[5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]-N,N-diphenylaniline iodide
CID 162671326
1,2-Bis[2-methyl-5-(2-pyridyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene
CID 101338868
4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline
CID 101484664
4-[2-[3-[3,3,4,4,5,5-Hexafluoro-2-[5-phenyl-2-(2-pyridin-4-ylethynyl)thiophen-3-yl]cyclopenten-1-yl]-5-phenylthiophen-2-yl]ethynyl]pyridine
CID 102089211
4-[4-[3,3,4,4,5,5-Hexafluoro-2-[2-methyl-5-(2-methyl-4-pyridinyl)thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-2-methylpyridine
CID 102108113
2-[4-[3,3,4,4,5,5-Hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102162968
1-[4-[3,4-Diphenyl-5-(4-pyridin-1-ium-1-ylphenyl)thiophen-2-yl]phenyl]pyridin-1-ium;bis(trifluoromethanesulfonate)
CID 139143959
2,5-Bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]pyrazine
CID 139179947
Tris(2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine);iridium(3+)
CID 22635189
4-(4-Fluorophenyl)-2-[4-[[4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]phenyl]methylsulfanylmethyl]phenyl]-5-pyridin-4-yl-1,3-thiazole
CID 69730006
4-[2-[4-[2-[2,4-Dimethyl-5-(2-pyridin-4-ylethenyl)thiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-3,5-dimethylthiophen-2-yl]ethenyl]pyridine
CID 90714816
N-[2-fluoro-4-[5-[3-fluoro-4-(4-phenyl-N-pyridin-3-ylanilino)phenyl]thiophen-2-yl]phenyl]-N-(4-phenylphenyl)pyridin-3-amine
CID 122659538

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline (CID 171792540) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline is FC(F)(F)c1ccc(-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc3c(-c4ccc(C(F)(F)F)nc4)c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)sc23)cn1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline?
The InChIKey is ANXXGHLCMFWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F6N4S2/c55-53(56,57)45-31-25-37(33-61-45)47-49(35-21-27-43(28-22-35)63(39-13-5-1-6-14-39)40-15-7-2-8-16-40)65-52-48(38-26-32-46(62-34-38)54(58,59)60)50(66-51(47)52)36-23-29-44(30-24-36)64(41-17-9-3-10-18-41)42-19-11-4-12-20-42/h1-34H.
What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline?
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline has a molecular weight of 917.02 g/mol, XLogP of 17.40, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-3,6-bis[6-(trifluoromethyl)-3-pyridinyl]thieno[3,2-b]thiophen-2-yl]aniline is sourced from PubChem (CID 171792540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).