4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline

C32H21N3OS — CID 146533738

IUPAC4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)ns3)cc2)cc1
InChIInChI=1S/C32H21N3OS/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)25-20-18-22(19-21-25)32-33-31(34-37-32)28-16-9-15-27-26-14-7-8-17-29(26)36-30(27)28/h1-21H
InChIKeyJLDJEPAKCCSYCF-UHFFFAOYSA-N
MW495.61 g/mol
LogP9.24
Rot. Bonds5

About 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline

4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline (PubChem CID 146533738) has the molecular formula C32H21N3OS and a molecular weight of 495.61 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline
PubChem CID146533738
Molecular FormulaC32H21N3OS
Molecular Weight495.61 g/mol
Exact Mass495.14
IUPAC Name4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)ns3)cc2)cc1
InChIInChI=1S/C32H21N3OS/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)25-20-18-22(19-21-25)32-33-31(34-37-32)28-16-9-15-27-26-14-7-8-17-29(26)36-30(27)28/h1-21H
InChIKeyJLDJEPAKCCSYCF-UHFFFAOYSA-N
XLogP9.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-[4,7-bis(4-dibenzofuran-4-ylphenyl)-1,3-benzothiazol-2-yl]-N,N-diphenylaniline
CID 121425766
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
4-[2-dibenzofuran-4-yl-7-[4-(N-phenylanilino)phenyl]-1,3-benzothiazol-4-yl]-N,N-diphenylaniline
CID 121425685
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-(4-triphenylsilylphenyl)aniline;methane
CID 159197890
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline (CID 146533738) is 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)ns3)cc2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline?
The InChIKey is JLDJEPAKCCSYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3OS/c1-3-10-23(11-4-1)35(24-12-5-2-6-13-24)25-20-18-22(19-21-25)32-33-31(34-37-32)28-16-9-15-27-26-14-7-8-17-29(26)36-30(27)28/h1-21H.
What are the key properties of 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline?
4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline has a molecular weight of 495.61 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)-N,N-diphenylaniline is sourced from PubChem (CID 146533738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).