N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline

C44H32N2S2 — CID 102106055

IUPACN,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C44H32N2S2/c1-5-13-35(14-6-1)45(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-31-43(47-41)44-32-30-42(48-44)34-23-27-40(28-24-34)46(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyZQYGPRCGSGAFQM-UHFFFAOYSA-N
MW652.89 g/mol
LogP13.75
Rot. Bonds9

About N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline

N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline (PubChem CID 102106055) has the molecular formula C44H32N2S2 and a molecular weight of 652.89 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline
PubChem CID102106055
Molecular FormulaC44H32N2S2
Molecular Weight652.89 g/mol
Exact Mass652.20
IUPAC NameN,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)cc2)cc1
InChIInChI=1S/C44H32N2S2/c1-5-13-35(14-6-1)45(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-31-43(47-41)44-32-30-42(48-44)34-23-27-40(28-24-34)46(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyZQYGPRCGSGAFQM-UHFFFAOYSA-N
XLogP13.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.89
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline (CID 102106055) is N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)s4)s3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline?
The InChIKey is ZQYGPRCGSGAFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N2S2/c1-5-13-35(14-6-1)45(36-15-7-2-8-16-36)39-25-21-33(22-26-39)41-29-31-43(47-41)44-32-30-42(48-44)34-23-27-40(28-24-34)46(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H.
What are the key properties of N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline?
N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline has a molecular weight of 652.89 g/mol, XLogP of 13.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]aniline is sourced from PubChem (CID 102106055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).