4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline

C23H18N2S — CID 163797319

IUPAC4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1
InChIInChI=1S/C23H18N2S/c1-14(2)23-24-19-9-5-3-8-18(19)22(25-23)15-11-12-17-16-7-4-6-10-20(16)26-21(17)13-15/h3-14H,1-2H3
InChIKeyFMUUGYDXYHBOQH-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.79
Rot. Bonds2

About 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline

4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline (PubChem CID 163797319) has the molecular formula C23H18N2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
PubChem CID163797319
Molecular FormulaC23H18N2S
Molecular Weight354.48 g/mol
Exact Mass354.12
IUPAC Name4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline
SMILESCC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1
InChIInChI=1S/C23H18N2S/c1-14(2)23-24-19-9-5-3-8-18(19)22(25-23)15-11-12-17-16-7-4-6-10-20(16)26-21(17)13-15/h3-14H,1-2H3
InChIKeyFMUUGYDXYHBOQH-UHFFFAOYSA-N
XLogP6.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
2-dibenzothiophen-3-yl-4-phenyl-6-propan-2-yl-1,3,5-triazine
CID 158748494
2-bromo-4-dibenzothiophen-3-ylquinazoline
CID 134362510
2-tert-butyl-4-dibenzothiophen-3-yl-6-propan-2-yl-1,3,5-triazine
CID 170008920
12-[4-(4-dibenzothiophen-3-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149666
2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
CID 134252322
9-carbazol-9-yl-5-[7-(2-dibenzothiophen-3-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375377
3-(4-propan-2-ylnaphthalen-1-yl)dibenzothiophene
CID 67964023
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
CID 165028329
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
4-naphthalen-2-yl-2-(1-naphthalen-2-yldibenzothiophen-3-yl)quinazoline
CID 174328845
4-(2-phenylphenyl)-2-propan-2-ylquinazoline
CID 147384271

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline?
The IUPAC name of 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline (CID 163797319) is 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline.
What is the SMILES notation for 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline?
The canonical SMILES for 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline is CC(C)c1nc(-c2ccc3c(c2)sc2ccccc23)c2ccccc2n1.
What is the InChIKey of 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline?
The InChIKey is FMUUGYDXYHBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2S/c1-14(2)23-24-19-9-5-3-8-18(19)22(25-23)15-11-12-17-16-7-4-6-10-20(16)26-21(17)13-15/h3-14H,1-2H3.
What are the key properties of 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline?
4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline has a molecular weight of 354.48 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-3-yl-2-propan-2-ylquinazoline is sourced from PubChem (CID 163797319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).