3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole

C30H25N3S — CID 146533817

IUPAC3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1ccc(-c2nsc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C30H25N3S/c1-30(2,3)22-16-12-20(13-17-22)28-31-29(34-32-28)21-14-18-23(19-15-21)33-26-10-6-4-8-24(26)25-9-5-7-11-27(25)33/h4-19H,1-3H3
InChIKeyRTIMASFMRQNFGF-UHFFFAOYSA-N
MW459.62 g/mol
LogP8.27
Rot. Bonds3

About 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole

3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole (PubChem CID 146533817) has the molecular formula C30H25N3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole
PubChem CID146533817
Molecular FormulaC30H25N3S
Molecular Weight459.62 g/mol
Exact Mass459.18
IUPAC Name3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole
SMILESCC(C)(C)c1ccc(-c2nsc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C30H25N3S/c1-30(2,3)22-16-12-20(13-17-22)28-31-29(34-32-28)21-14-18-23(19-15-21)33-26-10-6-4-8-24(26)25-9-5-7-11-27(25)33/h4-19H,1-3H3
InChIKeyRTIMASFMRQNFGF-UHFFFAOYSA-N
XLogP8.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.62
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 118504560
9-[4-[2-(4-tert-butylphenyl)ethynyl]phenyl]carbazole
CID 141209126
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
1-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-yl-9-phenylcarbazole
CID 134597649
9-(4-tritylphenyl)carbazole
CID 162500226
4-tert-butyl-N-(4-carbazol-9-ylphenyl)aniline
CID 172632708
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-[4-[4-(4-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126564639
5-[4-(3-tert-butylcarbazol-9-yl)phenyl]-3-phenyl-1,2,4-oxadiazole
CID 59499402
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole (CID 146533817) is 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole is CC(C)(C)c1ccc(-c2nsc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole?
The InChIKey is RTIMASFMRQNFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3S/c1-30(2,3)22-16-12-20(13-17-22)28-31-29(34-32-28)21-14-18-23(19-15-21)33-26-10-6-4-8-24(26)25-9-5-7-11-27(25)33/h4-19H,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole?
3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole has a molecular weight of 459.62 g/mol, XLogP of 8.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(4-carbazol-9-ylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 146533817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).