2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole

C32H25N3OS — CID 169044075

IUPAC2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole
SMILESCC(C)(C)c1nc2c(nc(-c3cccc4c3oc3ccccc34)n2-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C32H25N3OS/c1-32(2,3)31-34-29-30(37-31)33-28(25-14-9-13-24-23-12-7-8-15-26(23)36-27(24)25)35(29)22-18-16-21(17-19-22)20-10-5-4-6-11-20/h4-19H,1-3H3
InChIKeyMGZGNLYXXMYTTG-UHFFFAOYSA-N
MW499.64 g/mol
LogP9.01
Rot. Bonds3

About 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole

2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole (PubChem CID 169044075) has the molecular formula C32H25N3OS and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole
PubChem CID169044075
Molecular FormulaC32H25N3OS
Molecular Weight499.64 g/mol
Exact Mass499.17
IUPAC Name2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole
SMILESCC(C)(C)c1nc2c(nc(-c3cccc4c3oc3ccccc34)n2-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C32H25N3OS/c1-32(2,3)31-34-29-30(37-31)33-28(25-14-9-13-24-23-12-7-8-15-26(23)36-27(24)25)35(29)22-18-16-21(17-19-22)20-10-5-4-6-11-20/h4-19H,1-3H3
InChIKeyMGZGNLYXXMYTTG-UHFFFAOYSA-N
XLogP9.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-3-(4-phenylphenyl)-2-[7-(4-phenylphenyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 164826545
7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
3-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]quinoline
CID 164825385
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 159356417
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
9-[4-(7-tert-butyl-1-phenylbenzimidazol-2-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 67819109
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
5-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164824506

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole (CID 169044075) is 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole is CC(C)(C)c1nc2c(nc(-c3cccc4c3oc3ccccc34)n2-c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole?
The InChIKey is MGZGNLYXXMYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3OS/c1-32(2,3)31-34-29-30(37-31)33-28(25-14-9-13-24-23-12-7-8-15-26(23)36-27(24)25)35(29)22-18-16-21(17-19-22)20-10-5-4-6-11-20/h4-19H,1-3H3.
What are the key properties of 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole?
2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole has a molecular weight of 499.64 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-dibenzofuran-4-yl-4-(4-phenylphenyl)imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 169044075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).