4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline

C28H21NS — CID 58410590

IUPAC4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1
InChIInChI=1S/C28H21NS/c1-3-7-21(8-4-1)22-11-15-25(16-12-22)29-26-17-13-24(14-18-26)28-20-19-27(30-28)23-9-5-2-6-10-23/h1-20,29H
InChIKeyOUUXSVZUTLPAPM-UHFFFAOYSA-N
MW403.55 g/mol
LogP8.49
Rot. Bonds5

About 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline

4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline (PubChem CID 58410590) has the molecular formula C28H21NS and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
PubChem CID58410590
Molecular FormulaC28H21NS
Molecular Weight403.55 g/mol
Exact Mass403.14
IUPAC Name4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1
InChIInChI=1S/C28H21NS/c1-3-7-21(8-4-1)22-11-15-25(16-12-22)29-26-17-13-24(14-18-26)28-20-19-27(30-28)23-9-5-2-6-10-23/h1-20,29H
InChIKeyOUUXSVZUTLPAPM-UHFFFAOYSA-N
XLogP8.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The IUPAC name of 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline (CID 58410590) is 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline is c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)s4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline?
The InChIKey is OUUXSVZUTLPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NS/c1-3-7-21(8-4-1)22-11-15-25(16-12-22)29-26-17-13-24(14-18-26)28-20-19-27(30-28)23-9-5-2-6-10-23/h1-20,29H.
What are the key properties of 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline?
4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline has a molecular weight of 403.55 g/mol, XLogP of 8.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline is sourced from PubChem (CID 58410590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).