6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline

C108H68N6S3 — CID 165069250

IUPAC6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n2)cc1.c1ccc(-c2nc3cccc(-c4ccc5sc6ccccc6c5c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H28N2S.2C32H20N2S/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)44-43(45-39-16-8-9-17-40(39)46-44)32-21-19-31(20-22-32)33-23-24-42-38(28-33)37-15-7-10-18-41(37)47-42;1-3-10-21(11-4-1)30-31(22-12-5-2-6-13-22)34-32-24(15-9-16-27(32)33-30)23-18-19-29-26(20-23)25-14-7-8-17-28(25)35-29;1-3-9-21(10-4-1)31-27-20-23(15-17-28(27)33-32(34-31)22-11-5-2-6-12-22)24-16-18-30-26(19-24)25-13-7-8-14-29(25)35-30/h1-28H;2*1-20H
InChIKeySMFVAJYKWKRJRG-UHFFFAOYSA-N
MW1545.98 g/mol
LogP30.33
Rot. Bonds11

About 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline

6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline (PubChem CID 165069250) has the molecular formula C108H68N6S3 and a molecular weight of 1545.98 g/mol. Its IUPAC name is 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline.

Molecular Properties

Compound Name6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline
PubChem CID165069250
Molecular FormulaC108H68N6S3
Molecular Weight1545.98 g/mol
Exact Mass1544.47
IUPAC Name6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n2)cc1.c1ccc(-c2nc3cccc(-c4ccc5sc6ccccc6c5c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H28N2S.2C32H20N2S/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)44-43(45-39-16-8-9-17-40(39)46-44)32-21-19-31(20-22-32)33-23-24-42-38(28-33)37-15-7-10-18-41(37)47-42;1-3-10-21(11-4-1)30-31(22-12-5-2-6-13-22)34-32-24(15-9-16-27(32)33-30)23-18-19-29-26(20-23)25-14-7-8-17-28(25)35-29;1-3-9-21(10-4-1)31-27-20-23(15-17-28(27)33-32(34-31)22-11-5-2-6-12-22)24-16-18-30-26(19-24)25-13-7-8-14-29(25)35-30/h1-28H;2*1-20H
InChIKeySMFVAJYKWKRJRG-UHFFFAOYSA-N
XLogP30.33
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001545.98
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline with MolForge

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Related Compounds

6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
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
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline;5-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;6-dibenzothiophen-1-yl-2,3-diphenylquinoxaline;7-dibenzothiophen-1-yl-5-(4-phenylphenyl)-1,6-naphthyridine;2-(4-dibenzothiophen-1-ylphenyl)-3-[3-(3-phenylphenyl)phenyl]quinoxaline
CID 167584479
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
CID 155328667
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929
2-[4-(3-dibenzothiophen-1-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171402433
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
6-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline;7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzofuran-1-ylphenyl)-2,3-diphenylquinoxaline
CID 165054552

Frequently Asked Questions

What is the IUPAC name of 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline?
The IUPAC name of 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline (CID 165069250) is 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline.
What is the SMILES notation for 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline?
The canonical SMILES for 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4ccc5sc6ccccc6c5c4)ccc3n2)cc1.c1ccc(-c2nc3cccc(-c4ccc5sc6ccccc6c5c4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline?
The InChIKey is SMFVAJYKWKRJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S.2C32H20N2S/c1-3-11-29(12-4-1)34-25-35(30-13-5-2-6-14-30)27-36(26-34)44-43(45-39-16-8-9-17-40(39)46-44)32-21-19-31(20-22-32)33-23-24-42-38(28-33)37-15-7-10-18-41(37)47-42;1-3-10-21(11-4-1)30-31(22-12-5-2-6-13-22)34-32-24(15-9-16-27(32)33-30)23-18-19-29-26(20-23)25-14-7-8-17-28(25)35-29;1-3-9-21(10-4-1)31-27-20-23(15-17-28(27)33-32(34-31)22-11-5-2-6-12-22)24-16-18-30-26(19-24)25-13-7-8-14-29(25)35-30/h1-28H;2*1-20H.
What are the key properties of 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline?
6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline has a molecular weight of 1545.98 g/mol, XLogP of 30.33, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzothiophen-2-yl-2,4-diphenylquinazoline;5-dibenzothiophen-2-yl-2,3-diphenylquinoxaline;2-(4-dibenzothiophen-2-ylphenyl)-3-(3,5-diphenylphenyl)quinoxaline is sourced from PubChem (CID 165069250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).