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

C120H74N6S3 — CID 165094692

IUPAC6-(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
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc4ncccc34)ccc2c1
InChIInChI=1S/C42H26N2S.C40H24N2S.C38H24N2S/c1-3-12-27(13-4-1)41-42(28-14-5-2-6-15-28)44-37-26-29(22-25-36(37)43-41)30-23-24-33(32-17-8-7-16-31(30)32)34-19-11-21-39-40(34)35-18-9-10-20-38(35)45-39;1-2-10-26-23-27(19-18-25(26)9-1)40-33-15-8-22-41-35(33)24-36(42-40)31-21-20-30(28-11-3-4-12-29(28)31)32-14-7-17-38-39(32)34-13-5-6-16-37(34)43-38;1-3-10-27(11-4-1)37-31-23-22-29(24-33(31)39-38(40-37)28-12-5-2-6-13-28)25-18-20-26(21-19-25)30-15-9-17-35-36(30)32-14-7-8-16-34(32)41-35/h1-26H;1-24H;1-24H
InChIKeyXHKDEDKHVJFEKV-UHFFFAOYSA-N
MW1696.15 g/mol
LogP33.79
Rot. Bonds11

About 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

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 (PubChem CID 165094692) has the molecular formula C120H74N6S3 and a molecular weight of 1696.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID165094692
Molecular FormulaC120H74N6S3
Molecular Weight1696.15 g/mol
Exact Mass1694.51
IUPAC Name6-(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
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc4ncccc34)ccc2c1
InChIInChI=1S/C42H26N2S.C40H24N2S.C38H24N2S/c1-3-12-27(13-4-1)41-42(28-14-5-2-6-15-28)44-37-26-29(22-25-36(37)43-41)30-23-24-33(32-17-8-7-16-31(30)32)34-19-11-21-39-40(34)35-18-9-10-20-38(35)45-39;1-2-10-26-23-27(19-18-25(26)9-1)40-33-15-8-22-41-35(33)24-36(42-40)31-21-20-30(28-11-3-4-12-29(28)31)32-14-7-17-38-39(32)34-13-5-6-16-37(34)43-38;1-3-10-27(11-4-1)37-31-23-22-29(24-33(31)39-38(40-37)28-12-5-2-6-13-28)25-18-20-26(21-19-25)30-15-9-17-35-36(30)32-14-7-8-16-34(32)41-35/h1-26H;1-24H;1-24H
InChIKeyXHKDEDKHVJFEKV-UHFFFAOYSA-N
XLogP33.79
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001696.15
LogP ≤ 533.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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;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
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
6-dibenzothiophen-1-yl-2,4-diphenylquinazoline
CID 164987004
2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159324879
2-(3-dibenzothiophen-1-ylphenyl)-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304442
4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-2-phenyl-6-(8-phenylnaphthalen-1-yl)pyrimidine
CID 176632658
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-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
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
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-(3-phenylphenyl)pyrimidine
CID 171584997
2-(8-dibenzothiophen-1-ylnaphthalen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 146367339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)cc3n2)cc1.c1ccc(-c2nc3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc3nc2-c2ccccc2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5ccccc45)cc4ncccc34)ccc2c1.
What is the InChIKey of 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?
The InChIKey is XHKDEDKHVJFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2S.C40H24N2S.C38H24N2S/c1-3-12-27(13-4-1)41-42(28-14-5-2-6-15-28)44-37-26-29(22-25-36(37)43-41)30-23-24-33(32-17-8-7-16-31(30)32)34-19-11-21-39-40(34)35-18-9-10-20-38(35)45-39;1-2-10-26-23-27(19-18-25(26)9-1)40-33-15-8-22-41-35(33)24-36(42-40)31-21-20-30(28-11-3-4-12-29(28)31)32-14-7-17-38-39(32)34-13-5-6-16-37(34)43-38;1-3-10-27(11-4-1)37-31-23-22-29(24-33(31)39-38(40-37)28-12-5-2-6-13-28)25-18-20-26(21-19-25)30-15-9-17-35-36(30)32-14-7-8-16-34(32)41-35/h1-26H;1-24H;1-24H.
What are the key properties of 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?
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 has a molecular weight of 1696.15 g/mol, XLogP of 33.79, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165094692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).