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

C101H63N7S3 — CID 167566402

IUPAC7-(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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)cc2)cc1.c1ccc(-c2nc3cnccc3nc2-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C38H24N2S.C32H20N2S.C31H19N3S/c1-3-11-25(12-4-1)29-15-10-20-34-35(29)31-17-9-16-30(38(31)41-34)26-21-23-28(24-22-26)37-36(27-13-5-2-6-14-27)39-32-18-7-8-19-33(32)40-37;1-2-8-23(9-3-1)31-27-13-7-19-33-29(27)20-28(34-31)22-17-15-21(16-18-22)24-11-6-12-26-25-10-4-5-14-30(25)35-32(24)26;1-2-7-21(8-3-1)30-31(33-25-17-18-32-19-26(25)34-30)22-15-13-20(14-16-22)23-10-6-12-28-29(23)24-9-4-5-11-27(24)35-28/h1-24H;1-20H;1-19H
InChIKeyFIMQUFHCUNLJOM-UHFFFAOYSA-N
MW1470.87 g/mol
LogP28.06
Rot. Bonds10

About 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

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 (PubChem CID 167566402) has the molecular formula C101H63N7S3 and a molecular weight of 1470.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID167566402
Molecular FormulaC101H63N7S3
Molecular Weight1470.87 g/mol
Exact Mass1469.43
IUPAC Name7-(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
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)cc2)cc1.c1ccc(-c2nc3cnccc3nc2-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C38H24N2S.C32H20N2S.C31H19N3S/c1-3-11-25(12-4-1)29-15-10-20-34-35(29)31-17-9-16-30(38(31)41-34)26-21-23-28(24-22-26)37-36(27-13-5-2-6-14-27)39-32-18-7-8-19-33(32)40-37;1-2-8-23(9-3-1)31-27-13-7-19-33-29(27)20-28(34-31)22-17-15-21(16-18-22)24-11-6-12-26-25-10-4-5-14-30(25)35-32(24)26;1-2-7-21(8-3-1)30-31(33-25-17-18-32-19-26(25)34-30)22-15-13-20(14-16-22)23-10-6-12-28-29(23)24-9-4-5-11-27(24)35-28/h1-24H;1-20H;1-19H
InChIKeyFIMQUFHCUNLJOM-UHFFFAOYSA-N
XLogP28.06
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001470.87
LogP ≤ 528.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

4-[4-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylquinazoline
CID 163817234
5-[4-(6-dibenzothiophen-1-yl-2-phenylpyrimidin-4-yl)phenyl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009783
6-(4-dibenzothiophen-4-ylphenyl)-2,3-diphenylquinoxaline
CID 165098690
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
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
14-(4-dibenzothiophen-4-ylphenyl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122879
4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 130465587
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
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
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
5-[4-[2-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]isoquinoline
CID 130262136
12-(4-dibenzothiophen-4-ylphenyl)-[1]benzothiolo[2,3-i]phenanthridine
CID 129123000

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)cc3ncccc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3cccc4c3sc3cccc(-c5ccccc5)c34)cc2)cc1.c1ccc(-c2nc3cnccc3nc2-c2ccc(-c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is FIMQUFHCUNLJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2S.C32H20N2S.C31H19N3S/c1-3-11-25(12-4-1)29-15-10-20-34-35(29)31-17-9-16-30(38(31)41-34)26-21-23-28(24-22-26)37-36(27-13-5-2-6-14-27)39-32-18-7-8-19-33(32)40-37;1-2-8-23(9-3-1)31-27-13-7-19-33-29(27)20-28(34-31)22-17-15-21(16-18-22)24-11-6-12-26-25-10-4-5-14-30(25)35-32(24)26;1-2-7-21(8-3-1)30-31(33-25-17-18-32-19-26(25)34-30)22-15-13-20(14-16-22)23-10-6-12-28-29(23)24-9-4-5-11-27(24)35-28/h1-24H;1-20H;1-19H.
What are the key properties of 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?
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 has a molecular weight of 1470.87 g/mol, XLogP of 28.06, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167566402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).