7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

C179H117N3OS2 — CID 158268750

About 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 158268750) has the molecular formula C179H117N3OS2 and a molecular weight of 2390.06 g/mol. Its IUPAC name is 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

• Compound Name: 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
• PubChem CID: 158268750
• Molecular Formula: C179H117N3OS2
• Molecular Weight: 2390.06 g/mol
• Exact Mass: 2387.86
• IUPAC Name: 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(oc6ccccc65)c3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C61H39NS.C61H41NS.C57H37NO/c1-4-16-40(17-5-1)41-28-30-44(31-29-41)62(45-32-34-51-49-24-11-10-22-47(49)48-23-12-13-25-50(48)55(51)38-45)46-33-35-54-57(39-46)61(42-18-6-2-7-19-42,43-20-8-3-9-21-43)56-37-36-53-52-26-14-15-27-58(52)63-60(53)59(54)56;1-5-16-42(17-6-1)44-28-32-50(33-29-44)62(51-34-30-45(31-35-51)47-21-15-20-46(40-47)43-18-7-2-8-19-43)52-36-37-55-57(41-52)61(48-22-9-3-10-23-48,49-24-11-4-12-25-49)56-39-38-54-53-26-13-14-27-58(53)63-60(54)59(55)56;1-4-16-38(17-5-1)39-28-30-43(31-29-39)58(53-36-40-18-10-11-23-45(40)46-24-12-13-25-47(46)53)44-32-33-50-52(37-44)57(41-19-6-2-7-20-41,42-21-8-3-9-22-42)51-35-34-49-48-26-14-15-27-54(48)59-56(49)55(50)51/h1-39H;1-41H;1-37H
• InChIKey: GITUGBRZWHSGLV-UHFFFAOYSA-N
• XLogP: 49.29
• TPSA: 22.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2390.06
LogP ≤ 5	49.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The IUPAC name of 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 158268750) is 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

What is the SMILES notation for 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The canonical SMILES for 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(oc6ccccc65)c3-4)c3cc4ccccc4c4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.

What is the InChIKey of 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

The InChIKey is GITUGBRZWHSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NS.C61H41NS.C57H37NO/c1-4-16-40(17-5-1)41-28-30-44(31-29-41)62(45-32-34-51-49-24-11-10-22-47(49)48-23-12-13-25-50(48)55(51)38-45)46-33-35-54-57(39-46)61(42-18-6-2-7-19-42,43-20-8-3-9-21-43)56-37-36-53-52-26-14-15-27-58(52)63-60(53)59(54)56;1-5-16-42(17-6-1)44-28-32-50(33-29-44)62(51-34-30-45(31-35-51)47-21-15-20-46(40-47)43-18-7-2-8-19-43)52-36-37-55-57(41-52)61(48-22-9-3-10-23-48,49-24-11-4-12-25-49)56-39-38-54-53-26-13-14-27-58(53)63-60(54)59(55)56;1-4-16-38(17-5-1)39-28-30-43(31-29-39)58(53-36-40-18-10-11-23-45(40)46-24-12-13-25-47(46)53)44-32-33-50-52(37-44)57(41-19-6-2-7-20-41,42-21-8-3-9-22-42)51-35-34-49-48-26-14-15-27-54(48)59-56(49)55(50)51/h1-39H;1-41H;1-37H.

What are the key properties of 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?

7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 2390.06 g/mol, XLogP of 49.29, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7-diphenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoreno[5,6-b][1]benzothiol-9-amine;7,7-diphenyl-N-(4-phenylphenyl)-N-triphenylen-2-ylfluoreno[5,6-b][1]benzothiol-9-amine;N-phenanthren-9-yl-7,7-diphenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 158268750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).