N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline

C38H28N4S — CID 135398461

IUPACN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nsc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C38H28N4S/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-38(43-40-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyRYHYOYAQOLQIOX-UHFFFAOYSA-N
MW572.74 g/mol
LogP10.81
Rot. Bonds8

About N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline

N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline (PubChem CID 135398461) has the molecular formula C38H28N4S and a molecular weight of 572.74 g/mol. Its IUPAC name is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline
PubChem CID135398461
Molecular FormulaC38H28N4S
Molecular Weight572.74 g/mol
Exact Mass572.20
IUPAC NameN,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nsc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C38H28N4S/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-38(43-40-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H
InChIKeyRYHYOYAQOLQIOX-UHFFFAOYSA-N
XLogP10.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.74
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-phenyl-1,2,4-thiadiazole
CID 12846883
4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline
CID 146533738
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
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
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

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline (CID 135398461) is N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3nsc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline?
The InChIKey is RYHYOYAQOLQIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N4S/c1-5-13-31(14-6-1)41(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-39-38(43-40-37)30-23-27-36(28-24-30)42(33-17-9-3-10-18-33)34-19-11-4-12-20-34/h1-28H.
What are the key properties of N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline?
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline has a molecular weight of 572.74 g/mol, XLogP of 10.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,2,4-thiadiazol-3-yl]aniline is sourced from PubChem (CID 135398461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).