2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole

C26H18N2S — CID 122206222

IUPAC2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1
InChIInChI=1S/C26H18N2S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyQYMPPEGKDHHXOQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP7.21
Rot. Bonds4

About 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole

2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole (PubChem CID 122206222) has the molecular formula C26H18N2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
PubChem CID122206222
Molecular FormulaC26H18N2S
Molecular Weight390.51 g/mol
Exact Mass390.12
IUPAC Name2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1
InChIInChI=1S/C26H18N2S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H
InChIKeyQYMPPEGKDHHXOQ-UHFFFAOYSA-N
XLogP7.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
CID 59953851
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-ethynyl-5-phenyl-1,3,4-thiadiazole
CID 130778477
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
2-(4-phenylphenyl)-1,3,4-thiadiazole
CID 54288467
2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole
CID 122206225
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole (CID 122206222) is 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole is c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1.
What is the InChIKey of 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole?
The InChIKey is QYMPPEGKDHHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2S/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole?
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole has a molecular weight of 390.51 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 122206222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).