4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline

C34H23NS2 — CID 58636103

IUPAC4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4s3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1
InChIInChI=1S/C34H23NS2/c1-2-10-28(11-3-1)35(29-18-14-24(15-19-29)33-22-26-8-4-6-12-31(26)36-33)30-20-16-25(17-21-30)34-23-27-9-5-7-13-32(27)37-34/h1-23H
InChIKeySGMFZKMAKYDMBZ-UHFFFAOYSA-N
MW509.70 g/mol
LogP10.92
Rot. Bonds5

About 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline

4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline (PubChem CID 58636103) has the molecular formula C34H23NS2 and a molecular weight of 509.70 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
PubChem CID58636103
Molecular FormulaC34H23NS2
Molecular Weight509.70 g/mol
Exact Mass509.13
IUPAC Name4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4s3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1
InChIInChI=1S/C34H23NS2/c1-2-10-28(11-3-1)35(29-18-14-24(15-19-29)33-22-26-8-4-6-12-31(26)36-33)30-20-16-25(17-21-30)34-23-27-9-5-7-13-32(27)37-34/h1-23H
InChIKeySGMFZKMAKYDMBZ-UHFFFAOYSA-N
XLogP10.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.70
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N,N-bis[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165048376
4-[4-(N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 176651579
N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-4-[4-(N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-N-phenylaniline;4-N-[4-(1-benzothiophen-2-yl)phenyl]-1-N-[4-[4-(N-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-3-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 158887917
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 164744492
4-benzo[f][1]benzothiol-2-yl-N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)aniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[f][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-bis(4-benzo[f][1]benzothiol-2-ylphenyl)-4-phenylaniline
CID 165055110
N-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 164744498
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
CID 59413459
CID 59413459
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-[4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-[4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino]phenyl]-N-phenylaniline
CID 159194116

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline?
The IUPAC name of 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline (CID 58636103) is 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(-c3cc4ccccc4s3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline?
The InChIKey is SGMFZKMAKYDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NS2/c1-2-10-28(11-3-1)35(29-18-14-24(15-19-29)33-22-26-8-4-6-12-31(26)36-33)30-20-16-25(17-21-30)34-23-27-9-5-7-13-32(27)37-34/h1-23H.
What are the key properties of 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline?
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline has a molecular weight of 509.70 g/mol, XLogP of 10.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 58636103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).