6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

C114H70N8S3 — CID 159683948

About 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline

6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 159683948) has the molecular formula C114H70N8S3 and a molecular weight of 1648.07 g/mol. Its IUPAC name is 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 159683948
• Molecular Formula: C114H70N8S3
• Molecular Weight: 1648.07 g/mol
• Exact Mass: 1646.49
• IUPAC Name: 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7cc(-c8ccccc8)ccc7c7c6sc6ccccc67)c5)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c6c5sc5ccccc56)c4)c3)n2)cc1
• InChI: InChI=1S/C60H38N4S.C54H32N4S2/c1-4-13-39(14-5-1)42-23-29-45(30-24-42)58-62-59(46-31-25-43(26-32-46)40-15-6-2-7-16-40)64-60(63-58)47-33-27-44(28-34-47)48-19-12-20-50(37-48)56-57-55(52-21-10-11-22-54(52)65-57)51-36-35-49(38-53(51)61-56)41-17-8-3-9-18-41;1-3-13-33(14-4-1)52-56-53(34-15-5-2-6-16-34)58-54(57-52)40-20-12-18-36(30-40)35-17-11-19-39(29-35)50-51-49(44-22-8-10-24-47(44)60-51)43-28-26-37(31-45(43)55-50)38-25-27-42-41-21-7-9-23-46(41)59-48(42)32-38/h1-38H;1-32H
• InChIKey: MVNYEOHRBKQTED-UHFFFAOYSA-N
• XLogP: 31.28
• TPSA: 103.12 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1648.07
LogP ≤ 5	31.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The IUPAC name of 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline (CID 159683948) is 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline.

What is the SMILES notation for 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The canonical SMILES for 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6nc7cc(-c8ccccc8)ccc7c7c6sc6ccccc67)c5)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc6cc(-c7ccc8c(c7)sc7ccccc78)ccc6c6c5sc5ccccc56)c4)c3)n2)cc1.

What is the InChIKey of 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

The InChIKey is MVNYEOHRBKQTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4S.C54H32N4S2/c1-4-13-39(14-5-1)42-23-29-45(30-24-42)58-62-59(46-31-25-43(26-32-46)40-15-6-2-7-16-40)64-60(63-58)47-33-27-44(28-34-47)48-19-12-20-50(37-48)56-57-55(52-21-10-11-22-54(52)65-57)51-36-35-49(38-53(51)61-56)41-17-8-3-9-18-41;1-3-13-33(14-4-1)52-56-53(34-15-5-2-6-16-34)58-54(57-52)40-20-12-18-36(30-40)35-17-11-19-39(29-35)50-51-49(44-22-8-10-24-47(44)60-51)43-28-26-37(31-45(43)55-50)38-25-27-42-41-21-7-9-23-46(41)59-48(42)32-38/h1-38H;1-32H.

What are the key properties of 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline?

6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1648.07 g/mol, XLogP of 31.28, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenyl-[1]benzothiolo[2,3-c]quinoline;3-dibenzothiophen-3-yl-6-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 159683948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).