2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine

C113H91N7OS — CID 163949452

About 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine (PubChem CID 163949452) has the molecular formula C113H91N7OS and a molecular weight of 1595.09 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine
• PubChem CID: 163949452
• Molecular Formula: C113H91N7OS
• Molecular Weight: 1595.09 g/mol
• Exact Mass: 1593.70
• IUPAC Name: 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cccc2C1(C)C.CC1(C)c2ccccc2-c2c(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cccc2C1(C)C.CC1(C)c2ccccc2-c2c(-c3nc4ccccc4nc3-c3ccc4c(c3)sc3ccccc34)cccc2C1(C)C
• InChI: InChI=1S/C38H30N2O.C38H30N2S.C37H31N3/c2*1-37(2)28-15-7-5-13-26(28)34-27(14-11-16-29(34)38(37,3)4)36-35(39-30-17-8-9-18-31(30)40-36)23-20-21-25-24-12-6-10-19-32(24)41-33(25)22-23;1-36(2)30-19-11-10-17-28(30)32-29(18-12-20-31(32)37(36,3)4)35-39-33(25-14-6-5-7-15-25)38-34(40-35)27-22-21-24-13-8-9-16-26(24)23-27/h2*5-22H,1-4H3;5-23H,1-4H3
• InChIKey: RYASZGIACYRNIC-UHFFFAOYSA-N
• XLogP: 29.93
• TPSA: 103.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1595.09
LogP ≤ 5	29.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine (CID 163949452) is 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4ccc5ccccc5c4)n3)cccc2C1(C)C.CC1(C)c2ccccc2-c2c(-c3nc4ccccc4nc3-c3ccc4c(c3)oc3ccccc34)cccc2C1(C)C.CC1(C)c2ccccc2-c2c(-c3nc4ccccc4nc3-c3ccc4c(c3)sc3ccccc34)cccc2C1(C)C.

What is the InChIKey of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine?

The InChIKey is RYASZGIACYRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2O.C38H30N2S.C37H31N3/c2*1-37(2)28-15-7-5-13-26(28)34-27(14-11-16-29(34)38(37,3)4)36-35(39-30-17-8-9-18-31(30)40-36)23-20-21-25-24-12-6-10-19-32(24)41-33(25)22-23;1-36(2)30-19-11-10-17-28(30)32-29(18-12-20-31(32)37(36,3)4)35-39-33(25-14-6-5-7-15-25)38-34(40-35)27-22-21-24-13-8-9-16-26(24)23-27/h2*5-22H,1-4H3;5-23H,1-4H3.

What are the key properties of 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine?

2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine has a molecular weight of 1595.09 g/mol, XLogP of 29.93, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-dibenzothiophen-3-yl-3-(9,9,10,10-tetramethylphenanthren-4-yl)quinoxaline;2-naphthalen-2-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 163949452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).