2-tert-butyl-4-dibenzothiophen-2-ylquinazoline

C24H20N2S — CID 134252322

IUPAC2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
SMILESCC(C)(C)c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C24H20N2S/c1-24(2,3)23-25-19-10-6-4-9-17(19)22(26-23)15-12-13-21-18(14-15)16-8-5-7-11-20(16)27-21/h4-14H,1-3H3
InChIKeyJVKFJVISVXLSBP-UHFFFAOYSA-N
MW368.50 g/mol
LogP6.96
Rot. Bonds1

About 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline

2-tert-butyl-4-dibenzothiophen-2-ylquinazoline (PubChem CID 134252322) has the molecular formula C24H20N2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
PubChem CID134252322
Molecular FormulaC24H20N2S
Molecular Weight368.50 g/mol
Exact Mass368.13
IUPAC Name2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
SMILESCC(C)(C)c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1
InChIInChI=1S/C24H20N2S/c1-24(2,3)23-25-19-10-6-4-9-17(19)22(26-23)15-12-13-21-18(14-15)16-8-5-7-11-20(16)27-21/h4-14H,1-3H3
InChIKeyJVKFJVISVXLSBP-UHFFFAOYSA-N
XLogP6.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.50
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-dibenzothiophen-3-ylquinazoline
CID 134362510
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
CID 163797319
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline
CID 164956800
4-phenyl-2-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)quinazoline
CID 147261870
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
8-(4-dibenzothiophen-2-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 146214105
7-dibenzothiophen-2-yl-2,4-diphenylquinazoline;7-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;2-dibenzothiophen-3-yl-3-[4-(3-phenylphenyl)phenyl]quinoxaline
CID 165020673
2-[6-(3,5-ditert-butylphenyl)anthracen-2-yl]dibenzothiophene
CID 90262322
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
2-dibenzothiophen-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 22614157
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline?
The IUPAC name of 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline (CID 134252322) is 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline.
What is the SMILES notation for 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline?
The canonical SMILES for 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline is CC(C)(C)c1nc(-c2ccc3sc4ccccc4c3c2)c2ccccc2n1.
What is the InChIKey of 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline?
The InChIKey is JVKFJVISVXLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S/c1-24(2,3)23-25-19-10-6-4-9-17(19)22(26-23)15-12-13-21-18(14-15)16-8-5-7-11-20(16)27-21/h4-14H,1-3H3.
What are the key properties of 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline?
2-tert-butyl-4-dibenzothiophen-2-ylquinazoline has a molecular weight of 368.50 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-dibenzothiophen-2-ylquinazoline is sourced from PubChem (CID 134252322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).