N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline

C40H29NS — CID 14876632

IUPACN,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline
SMILESc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H29NS/c1-6-16-30(17-7-1)37-38(31-18-8-2-9-19-31)40(42-39(37)32-20-10-3-11-21-32)33-26-28-36(29-27-33)41(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-29H
InChIKeyWHLUZCLVWPHJQH-UHFFFAOYSA-N
MW555.75 g/mol
LogP11.89
Rot. Bonds7

About N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline

N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline (PubChem CID 14876632) has the molecular formula C40H29NS and a molecular weight of 555.75 g/mol. Its IUPAC name is N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline
PubChem CID14876632
Molecular FormulaC40H29NS
Molecular Weight555.75 g/mol
Exact Mass555.20
IUPAC NameN,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline
SMILESc1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C40H29NS/c1-6-16-30(17-7-1)37-38(31-18-8-2-9-19-31)40(42-39(37)32-20-10-3-11-21-32)33-26-28-36(29-27-33)41(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-29H
InChIKeyWHLUZCLVWPHJQH-UHFFFAOYSA-N
XLogP11.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.75
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-bromophenyl)-3,4-diphenylthiophen-2-yl]-N,N-diphenylaniline
CID 139970614
N,4-diphenyl-N-[4-[4-(1,4,5-triphenylbenzo[e][1]benzothiol-2-yl)phenyl]phenyl]aniline
CID 58340493
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90057956
4-phenyl-N-(4-phenylphenyl)-N-[4-(1,2,4-triphenylbenzo[e][1]benzothiol-5-yl)phenyl]aniline
CID 58340488

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline (CID 14876632) is N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline is c1ccc(-c2sc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline?
The InChIKey is WHLUZCLVWPHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29NS/c1-6-16-30(17-7-1)37-38(31-18-8-2-9-19-31)40(42-39(37)32-20-10-3-11-21-32)33-26-28-36(29-27-33)41(34-22-12-4-13-23-34)35-24-14-5-15-25-35/h1-29H.
What are the key properties of N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline?
N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline has a molecular weight of 555.75 g/mol, XLogP of 11.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(3,4,5-triphenylthiophen-2-yl)aniline is sourced from PubChem (CID 14876632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).