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

C172H108N10S5 — CID 167584479

IUPAC6-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5sc6ccccc6c45)cc4ncccc34)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5cccc6sc7ccccc7c56)cc4)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1.c1ccc(-c2nc3ccc(-c4cccc5sc6ccccc6c45)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc5sc6ccccc6c45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H28N2S.4C32H20N2S/c1-2-11-29(12-3-1)32-13-8-14-33(27-32)34-15-9-16-35(28-34)44-43(45-38-19-5-6-20-39(38)46-44)31-25-23-30(24-26-31)36-18-10-22-41-42(36)37-17-4-7-21-40(37)47-41;1-3-11-21(12-4-1)30-31(22-13-5-2-6-14-22)34-32-24(17-9-18-26(32)33-30)23-16-10-20-28-29(23)25-15-7-8-19-27(25)35-28;1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-3-10-21(11-4-1)31-32(22-12-5-2-6-13-22)34-27-20-23(18-19-26(27)33-31)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-2-8-21(9-3-1)22-15-17-23(18-16-22)32-25-12-7-19-33-27(25)20-28(34-32)24-11-6-14-30-31(24)26-10-4-5-13-29(26)35-30/h1-28H;4*1-20H
InChIKeyHPKLCVDDANUBPN-UHFFFAOYSA-N
MW2475.16 g/mol
LogP48.33
Rot. Bonds17

About 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

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 (PubChem CID 167584479) has the molecular formula C172H108N10S5 and a molecular weight of 2475.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID167584479
Molecular FormulaC172H108N10S5
Molecular Weight2475.16 g/mol
Exact Mass2472.74
IUPAC Name6-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
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5sc6ccccc6c45)cc4ncccc34)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5cccc6sc7ccccc7c56)cc4)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1.c1ccc(-c2nc3ccc(-c4cccc5sc6ccccc6c45)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc5sc6ccccc6c45)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C44H28N2S.4C32H20N2S/c1-2-11-29(12-3-1)32-13-8-14-33(27-32)34-15-9-16-35(28-34)44-43(45-38-19-5-6-20-39(38)46-44)31-25-23-30(24-26-31)36-18-10-22-41-42(36)37-17-4-7-21-40(37)47-41;1-3-11-21(12-4-1)30-31(22-13-5-2-6-14-22)34-32-24(17-9-18-26(32)33-30)23-16-10-20-28-29(23)25-15-7-8-19-27(25)35-28;1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-3-10-21(11-4-1)31-32(22-12-5-2-6-13-22)34-27-20-23(18-19-26(27)33-31)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-2-8-21(9-3-1)22-15-17-23(18-16-22)32-25-12-7-19-33-27(25)20-28(34-32)24-11-6-14-30-31(24)26-10-4-5-13-29(26)35-30/h1-28H;4*1-20H
InChIKeyHPKLCVDDANUBPN-UHFFFAOYSA-N
XLogP48.33
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.16
LogP ≤ 548.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

6-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline;7-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-5-naphthalen-2-yl-1,6-naphthyridine;7-(4-dibenzothiophen-1-ylphenyl)-2,4-diphenylquinazoline
CID 165094692
6-dibenzofuran-1-yl-2,4-diphenylquinazoline;5-dibenzofuran-1-yl-2,3-diphenylquinoxaline;6-dibenzofuran-1-yl-2,3-diphenylquinoxaline;7-dibenzofuran-1-yl-5-(4-phenylphenyl)-1,6-naphthyridine;2-dibenzofuran-1-yl-3-(4-phenylphenyl)quinoxaline
CID 159399268
6-(4-dibenzothiophen-2-ylphenyl)-2,4-diphenylquinazoline;5-(4-dibenzothiophen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 164997910
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
7-dibenzothiophen-2-yl-5-(11,11-dimethylbenzo[b]fluoren-2-yl)-1,6-naphthyridine;2-dibenzothiophen-2-yl-3-(4-naphthalen-2-ylphenyl)quinoxaline;7-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-2-phenylquinazoline
CID 165067227
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
5-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine
CID 163858359
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
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-4-yl-3-(11,11-dimethylbenzo[b]fluoren-2-yl)quinoxaline;7-(3-dibenzothiophen-3-ylphenyl)-2,4-diphenylquinazoline;7-dibenzothiophen-4-yl-5-phenyl-1,6-naphthyridine
CID 165028328
5-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2,3-diphenylquinoxaline
CID 164998499
7-(4-dibenzothiophen-4-ylphenyl)-5-phenyl-1,6-naphthyridine;2-(4-dibenzothiophen-1-ylphenyl)-3-phenylpyrido[3,4-b]pyrazine;2-phenyl-3-[4-(9-phenyldibenzothiophen-4-yl)phenyl]quinoxaline
CID 167566402

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4cccc5sc6ccccc6c45)cc4ncccc34)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc5ccccc5nc4-c4ccc(-c5cccc6sc7ccccc7c56)cc4)c3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc3n2)cc1.c1ccc(-c2nc3ccc(-c4cccc5sc6ccccc6c45)cc3nc2-c2ccccc2)cc1.c1ccc(-c2nc3cccc(-c4cccc5sc6ccccc6c45)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is HPKLCVDDANUBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2S.4C32H20N2S/c1-2-11-29(12-3-1)32-13-8-14-33(27-32)34-15-9-16-35(28-34)44-43(45-38-19-5-6-20-39(38)46-44)31-25-23-30(24-26-31)36-18-10-22-41-42(36)37-17-4-7-21-40(37)47-41;1-3-11-21(12-4-1)30-31(22-13-5-2-6-14-22)34-32-24(17-9-18-26(32)33-30)23-16-10-20-28-29(23)25-15-7-8-19-27(25)35-28;1-3-10-21(11-4-1)31-26-20-23(18-19-27(26)33-32(34-31)22-12-5-2-6-13-22)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-3-10-21(11-4-1)31-32(22-12-5-2-6-13-22)34-27-20-23(18-19-26(27)33-31)24-15-9-17-29-30(24)25-14-7-8-16-28(25)35-29;1-2-8-21(9-3-1)22-15-17-23(18-16-22)32-25-12-7-19-33-27(25)20-28(34-32)24-11-6-14-30-31(24)26-10-4-5-13-29(26)35-30/h1-28H;4*1-20H.
What are the key properties of 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?
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 has a molecular weight of 2475.16 g/mol, XLogP of 48.33, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167584479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).