7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline

C38H24N2S — CID 165028329

IUPAC7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1
InChIInChI=1S/C38H24N2S/c1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30/h1-24H
InChIKeyQHZOBFZGEMBULO-UHFFFAOYSA-N
MW540.69 g/mol
LogP10.67
Rot. Bonds4

About 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline

7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline (PubChem CID 165028329) has the molecular formula C38H24N2S and a molecular weight of 540.69 g/mol. Its IUPAC name is 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline.

Molecular Properties

Compound Name7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
PubChem CID165028329
Molecular FormulaC38H24N2S
Molecular Weight540.69 g/mol
Exact Mass540.17
IUPAC Name7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1
InChIInChI=1S/C38H24N2S/c1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30/h1-24H
InChIKeyQHZOBFZGEMBULO-UHFFFAOYSA-N
XLogP10.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenylquinazoline
CID 155328603
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-[7-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]dibenzothiophen-3-yl]-4-(3-phenylphenyl)quinazoline
CID 118640887
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
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
6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159683948
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583543
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine
CID 138613719

Frequently Asked Questions

What is the IUPAC name of 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline?
The IUPAC name of 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline (CID 165028329) is 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline.
What is the SMILES notation for 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline?
The canonical SMILES for 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline is c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc(-c5ccc6c(c5)sc5ccccc56)c4)cc3n2)cc1.
What is the InChIKey of 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline?
The InChIKey is QHZOBFZGEMBULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S/c1-3-10-25(11-4-1)37-33-21-19-29(23-34(33)39-38(40-37)26-12-5-2-6-13-26)27-14-9-15-28(22-27)30-18-20-32-31-16-7-8-17-35(31)41-36(32)24-30/h1-24H.
What are the key properties of 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline?
7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline has a molecular weight of 540.69 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline is sourced from PubChem (CID 165028329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).