phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone

C33H23NOS2 — CID 102408721

IUPACphenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C33H23NOS2/c35-33(26-6-2-1-3-7-26)27-14-20-30(21-15-27)34(28-16-10-24(11-17-28)31-8-4-22-36-31)29-18-12-25(13-19-29)32-9-5-23-37-32/h1-23H
InChIKeyYHGJXQFBDMGOPI-UHFFFAOYSA-N
MW513.69 g/mol
LogP9.84
Rot. Bonds7

About phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone

phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone (PubChem CID 102408721) has the molecular formula C33H23NOS2 and a molecular weight of 513.69 g/mol. Its IUPAC name is phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
PubChem CID102408721
Molecular FormulaC33H23NOS2
Molecular Weight513.69 g/mol
Exact Mass513.12
IUPAC Namephenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C33H23NOS2/c35-33(26-6-2-1-3-7-26)27-14-20-30(21-15-27)34(28-16-10-24(11-17-28)31-8-4-22-36-31)29-18-12-25(13-19-29)32-9-5-23-37-32/h1-23H
InChIKeyYHGJXQFBDMGOPI-UHFFFAOYSA-N
XLogP9.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987
[4-[4-[[4-(4-benzoylphenyl)phenyl]-bis[4-(N-phenylanilino)phenyl]methyl]phenyl]phenyl]-phenylmethanone
CID 122429601
4-thiophen-2-ylbenzoyl chloride
CID 158319353
5-[4-(N-(4-thiophen-2-ylphenyl)anilino)phenyl]thiophene-2-carbaldehyde
CID 72702102
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
N-ethyl-N-methyl-4-thiophen-2-ylbenzamide
CID 141207941
N-(2-hydroxyphenyl)-4-thiophen-2-ylbenzamide
CID 944599
[4-(4-benzoyl-N-[10-(4-benzoyl-N-(4-benzoylphenyl)anilino)anthracen-9-yl]anilino)phenyl]-phenylmethanone
CID 20665503
phenyl-(4-phenylphenyl)methanone
CID 155775877

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone?
The IUPAC name of phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone (CID 102408721) is phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone?
The canonical SMILES for phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone is O=C(c1ccccc1)c1ccc(N(c2ccc(-c3cccs3)cc2)c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone?
The InChIKey is YHGJXQFBDMGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NOS2/c35-33(26-6-2-1-3-7-26)27-14-20-30(21-15-27)34(28-16-10-24(11-17-28)31-8-4-22-36-31)29-18-12-25(13-19-29)32-9-5-23-37-32/h1-23H.
What are the key properties of phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone?
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone has a molecular weight of 513.69 g/mol, XLogP of 9.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone is sourced from PubChem (CID 102408721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).