7-bromo-2,9-diphenylthieno[2,3-f]quinazoline

C22H13BrN2S — CID 131989116

IUPAC7-bromo-2,9-diphenylthieno[2,3-f]quinazoline
SMILESBrc1nc(-c2ccccc2)c2c(ccc3cc(-c4ccccc4)sc32)n1
InChIInChI=1S/C22H13BrN2S/c23-22-24-17-12-11-16-13-18(14-7-3-1-4-8-14)26-21(16)19(17)20(25-22)15-9-5-2-6-10-15/h1-13H
InChIKeyWWJLFQGXDRHRJT-UHFFFAOYSA-N
MW417.33 g/mol
LogP6.94
Rot. Bonds2

About 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline

7-bromo-2,9-diphenylthieno[2,3-f]quinazoline (PubChem CID 131989116) has the molecular formula C22H13BrN2S and a molecular weight of 417.33 g/mol. Its IUPAC name is 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline.

Molecular Properties

Compound Name7-bromo-2,9-diphenylthieno[2,3-f]quinazoline
PubChem CID131989116
Molecular FormulaC22H13BrN2S
Molecular Weight417.33 g/mol
Exact Mass416.00
IUPAC Name7-bromo-2,9-diphenylthieno[2,3-f]quinazoline
SMILESBrc1nc(-c2ccccc2)c2c(ccc3cc(-c4ccccc4)sc32)n1
InChIInChI=1S/C22H13BrN2S/c23-22-24-17-12-11-16-13-18(14-7-3-1-4-8-14)26-21(16)19(17)20(25-22)15-9-5-2-6-10-15/h1-13H
InChIKeyWWJLFQGXDRHRJT-UHFFFAOYSA-N
XLogP6.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-diphenyl-7-[10-(9-phenylcarbazol-3-yl)benzo[c]carbazol-7-yl]thieno[2,3-f]quinazoline
CID 131998698
4,6-diphenylthieno[3,2-d]pyrimidin-2-amine
CID 145380929
5,15-diphenyl-4,14-dithiahexacyclo[9.9.2.02,10.03,7.012,20.013,17]docosa-2(10),3(7),5,8,12(20),13(17),15,18-octaene-21,22-dione
CID 122233011
(2-phenyl-1-benzothiophen-7-yl)methanol
CID 19430414
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118228493
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;N-[4-(4-benzo[g][1]benzothiol-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-benzo[g][1]benzothiol-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 165042446
N-(4-benzo[g][1]benzothiol-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 164744905
2-bromo-4-dibenzothiophen-3-ylquinazoline
CID 134362510
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]thieno[3,2-c]carbazole
CID 118229469
2-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,8-diphenylthieno[2,3-f][1]benzothiol-6-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134595214
4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
6-[3-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylthieno[3,2-c]carbazole
CID 118229504

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline?
The IUPAC name of 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline (CID 131989116) is 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline.
What is the SMILES notation for 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline?
The canonical SMILES for 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline is Brc1nc(-c2ccccc2)c2c(ccc3cc(-c4ccccc4)sc32)n1.
What is the InChIKey of 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline?
The InChIKey is WWJLFQGXDRHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrN2S/c23-22-24-17-12-11-16-13-18(14-7-3-1-4-8-14)26-21(16)19(17)20(25-22)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline?
7-bromo-2,9-diphenylthieno[2,3-f]quinazoline has a molecular weight of 417.33 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,9-diphenylthieno[2,3-f]quinazoline is sourced from PubChem (CID 131989116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).