6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline

C112H68N8S2 — CID 163561168

About 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline

6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline (PubChem CID 163561168) has the molecular formula C112H68N8S2 and a molecular weight of 1589.97 g/mol. Its IUPAC name is 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline.

Molecular Properties

• Compound Name: 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline
• PubChem CID: 163561168
• Molecular Formula: C112H68N8S2
• Molecular Weight: 1589.97 g/mol
• Exact Mass: 1588.50
• IUPAC Name: 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c4sc4ccccc45)c4ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)c5ccccc45)cc3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C59H36N4S.C53H32N4S/c1-2-15-39(16-3-1)59-61-51(36-52(62-59)40-17-14-18-41(35-40)63-53-26-11-7-21-45(53)46-22-8-12-27-54(46)63)38-31-29-37(30-32-38)42-33-34-47(44-20-5-4-19-43(42)44)57-58-56(48-23-6-10-25-50(48)60-57)49-24-9-13-28-55(49)64-58;1-2-14-33(15-3-1)45-32-46(56-53(55-45)34-26-28-35(29-27-34)57-47-23-11-7-18-39(47)40-19-8-12-24-48(40)57)38-30-31-41(37-17-5-4-16-36(37)38)51-52-50(42-20-6-10-22-44(42)54-51)43-21-9-13-25-49(43)58-52/h1-36H;1-32H
• InChIKey: FRIDYQNNOOKJDT-UHFFFAOYSA-N
• XLogP: 30.29
• TPSA: 87.20 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1589.97
LogP ≤ 5	30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline?

The IUPAC name of 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline (CID 163561168) is 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline.

What is the SMILES notation for 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline?

The canonical SMILES for 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5c4sc4ccccc45)c4ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5sc5ccccc56)c5ccccc45)cc3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.

What is the InChIKey of 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline?

The InChIKey is FRIDYQNNOOKJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4S.C53H32N4S/c1-2-15-39(16-3-1)59-61-51(36-52(62-59)40-17-14-18-41(35-40)63-53-26-11-7-21-45(53)46-22-8-12-27-54(46)63)38-31-29-37(30-32-38)42-33-34-47(44-20-5-4-19-43(42)44)57-58-56(48-23-6-10-25-50(48)60-57)49-24-9-13-28-55(49)64-58;1-2-14-33(15-3-1)45-32-46(56-53(55-45)34-26-28-35(29-27-34)57-47-23-11-7-18-39(47)40-19-8-12-24-48(40)57)38-30-31-41(37-17-5-4-16-36(37)38)51-52-50(42-20-6-10-22-44(42)54-51)43-21-9-13-25-49(43)58-52/h1-36H;1-32H.

What are the key properties of 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline?

6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline has a molecular weight of 1589.97 g/mol, XLogP of 30.29, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzothiolo[2,3-c]quinoline is sourced from PubChem (CID 163561168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).