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

C44H31NS — CID 164744811

IUPACN-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H31NS/c1-3-9-32(10-4-1)35-19-25-40(26-20-35)45(41-27-21-36(22-28-41)33-11-5-2-6-12-33)42-29-23-37(24-30-42)34-15-17-38(18-16-34)44-31-39-13-7-8-14-43(39)46-44/h1-31H
InChIKeyMGMWNLNEUHAXKL-UHFFFAOYSA-N
MW605.81 g/mol
LogP13.04
Rot. Bonds7

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

N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 164744811) has the molecular formula C44H31NS and a molecular weight of 605.81 g/mol. Its IUPAC name is N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID164744811
Molecular FormulaC44H31NS
Molecular Weight605.81 g/mol
Exact Mass605.22
IUPAC NameN-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)cc1
InChIInChI=1S/C44H31NS/c1-3-9-32(10-4-1)35-19-25-40(26-20-35)45(41-27-21-36(22-28-41)33-11-5-2-6-12-33)42-29-23-37(24-30-42)34-15-17-38(18-16-34)44-31-39-13-7-8-14-43(39)46-44/h1-31H
InChIKeyMGMWNLNEUHAXKL-UHFFFAOYSA-N
XLogP13.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.81
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
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
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
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-(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
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
N-[4-(1-benzothiophen-2-yl)phenyl]-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 164744723

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 164744811) is N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is MGMWNLNEUHAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31NS/c1-3-9-32(10-4-1)35-19-25-40(26-20-35)45(41-27-21-36(22-28-41)33-11-5-2-6-12-33)42-29-23-37(24-30-42)34-15-17-38(18-16-34)44-31-39-13-7-8-14-43(39)46-44/h1-31H.
What are the key properties of N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 605.81 g/mol, XLogP of 13.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 164744811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).