4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline

C26H14N4S2 — CID 170563275

IUPAC4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline
SMILESc1ccc(-c2nc(-c3ncc4ccc5sccc5c4n3)nc3c2ccc2sccc23)cc1
InChIInChI=1S/C26H14N4S2/c1-2-4-15(5-3-1)22-19-7-9-21-18(11-13-32-21)24(19)30-26(29-22)25-27-14-16-6-8-20-17(10-12-31-20)23(16)28-25/h1-14H
InChIKeyTXJKGZYRQYAWDQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP7.34
Rot. Bonds2

About 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline

4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline (PubChem CID 170563275) has the molecular formula C26H14N4S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline
PubChem CID170563275
Molecular FormulaC26H14N4S2
Molecular Weight446.56 g/mol
Exact Mass446.07
IUPAC Name4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline
SMILESc1ccc(-c2nc(-c3ncc4ccc5sccc5c4n3)nc3c2ccc2sccc23)cc1
InChIInChI=1S/C26H14N4S2/c1-2-4-15(5-3-1)22-19-7-9-21-18(11-13-32-21)24(19)30-26(29-22)25-27-14-16-6-8-20-17(10-12-31-20)23(16)28-25/h1-14H
InChIKeyTXJKGZYRQYAWDQ-UHFFFAOYSA-N
XLogP7.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-phenylquinazolin-2-yl)-3,5-diazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
CID 163593896
4-phenyl-2-(22-thiahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8(13),9,11,15(23),16,18,20,24-dodecaen-10-yl)benzo[h]quinazoline
CID 147629543
8-fluoro-2-phenylbenzo[h]quinazoline
CID 157459292
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
20-(4-phenylbenzo[h]quinazolin-2-yl)-9-thia-21-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 126701941
benzene;benzo[e][1]benzothiole
CID 174845416
4-phenyl-2-[2-(4-phenylbenzo[h]quinazolin-2-yl)-4-pyridinyl]benzo[h]quinazoline
CID 122488950
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604
2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenylbenzo[h]quinazoline
CID 155473733
13-(4-phenylbenzo[h]quinazolin-2-yl)-[1]benzothiolo[3,2-c]phenanthridine
CID 126701910
10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole
CID 118317519
2-[4-(6-carbazol-9-yl-3-pyridinyl)phenyl]-4-phenylbenzo[h]quinazoline
CID 122497128

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline?
The IUPAC name of 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline (CID 170563275) is 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline.
What is the SMILES notation for 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline?
The canonical SMILES for 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline is c1ccc(-c2nc(-c3ncc4ccc5sccc5c4n3)nc3c2ccc2sccc23)cc1.
What is the InChIKey of 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline?
The InChIKey is TXJKGZYRQYAWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4S2/c1-2-4-15(5-3-1)22-19-7-9-21-18(11-13-32-21)24(19)30-26(29-22)25-27-14-16-6-8-20-17(10-12-31-20)23(16)28-25/h1-14H.
What are the key properties of 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline?
4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline has a molecular weight of 446.56 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-thieno[2,3-h]quinazolin-2-ylthieno[2,3-h]quinazoline is sourced from PubChem (CID 170563275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).