4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline

C30H21NS3 — CID 15315428

IUPAC4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
SMILESc1csc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)c1
InChIInChI=1S/C30H21NS3/c1-4-28(32-19-1)22-7-13-25(14-8-22)31(26-15-9-23(10-16-26)29-5-2-20-33-29)27-17-11-24(12-18-27)30-6-3-21-34-30/h1-21H
InChIKeyDXPFPUHRRPAXAO-UHFFFAOYSA-N
MW491.71 g/mol
LogP10.34
Rot. Bonds6

About 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline

4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline (PubChem CID 15315428) has the molecular formula C30H21NS3 and a molecular weight of 491.71 g/mol. Its IUPAC name is 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
PubChem CID15315428
Molecular FormulaC30H21NS3
Molecular Weight491.71 g/mol
Exact Mass491.08
IUPAC Name4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline
SMILESc1csc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)c1
InChIInChI=1S/C30H21NS3/c1-4-28(32-19-1)22-7-13-25(14-8-22)31(26-15-9-23(10-16-26)29-5-2-20-33-29)27-17-11-24(12-18-27)30-6-3-21-34-30/h1-21H
InChIKeyDXPFPUHRRPAXAO-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.71
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline?
The IUPAC name of 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline (CID 15315428) is 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline.
What is the SMILES notation for 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline?
The canonical SMILES for 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline is c1csc(-c2ccc(N(c3ccc(-c4cccs4)cc3)c3ccc(-c4cccs4)cc3)cc2)c1.
What is the InChIKey of 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline?
The InChIKey is DXPFPUHRRPAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS3/c1-4-28(32-19-1)22-7-13-25(14-8-22)31(26-15-9-23(10-16-26)29-5-2-20-33-29)27-17-11-24(12-18-27)30-6-3-21-34-30/h1-21H.
What are the key properties of 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline?
4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline has a molecular weight of 491.71 g/mol, XLogP of 10.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N,N-bis(4-thiophen-2-ylphenyl)aniline is sourced from PubChem (CID 15315428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).