N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine

C36H26N2S3 — CID 43833527

IUPACN,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)s3)s2)cc1
InChIInChI=1S/C36H26N2S3/c1-5-13-27(14-6-1)37(28-15-7-2-8-16-28)35-25-23-33(40-35)31-21-22-32(39-31)34-24-26-36(41-34)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H
InChIKeyNHVACKLFLBQBMC-UHFFFAOYSA-N
MW582.82 g/mol
LogP12.14
Rot. Bonds8

About N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine

N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine (PubChem CID 43833527) has the molecular formula C36H26N2S3 and a molecular weight of 582.82 g/mol. Its IUPAC name is N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
PubChem CID43833527
Molecular FormulaC36H26N2S3
Molecular Weight582.82 g/mol
Exact Mass582.13
IUPAC NameN,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)s3)s2)cc1
InChIInChI=1S/C36H26N2S3/c1-5-13-27(14-6-1)37(28-15-7-2-8-16-28)35-25-23-33(40-35)31-21-22-32(39-31)34-24-26-36(41-34)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H
InChIKeyNHVACKLFLBQBMC-UHFFFAOYSA-N
XLogP12.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.82
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine?
The IUPAC name of N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine (CID 43833527) is N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine.
What is the SMILES notation for N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine?
The canonical SMILES for N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)s4)s3)s2)cc1.
What is the InChIKey of N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine?
The InChIKey is NHVACKLFLBQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2S3/c1-5-13-27(14-6-1)37(28-15-7-2-8-16-28)35-25-23-33(40-35)31-21-22-32(39-31)34-24-26-36(41-34)38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-26H.
What are the key properties of N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine?
N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine has a molecular weight of 582.82 g/mol, XLogP of 12.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-5-[5-[5-(N-phenylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-amine is sourced from PubChem (CID 43833527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).