3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile

C108H66N8 — CID 162110199

About 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile

3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile (PubChem CID 162110199) has the molecular formula C108H66N8 and a molecular weight of 1475.77 g/mol. Its IUPAC name is 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile.

Molecular Properties

• Compound Name: 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
• PubChem CID: 162110199
• Molecular Formula: C108H66N8
• Molecular Weight: 1475.77 g/mol
• Exact Mass: 1474.54
• IUPAC Name: 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
• SMILES: N#Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3ccccc23)c1
• InChI: InChI=1S/C56H34N4.C52H32N4/c57-35-36-29-40(39-23-24-51-49-15-4-3-13-47(49)48-14-5-6-16-50(48)52(51)32-39)31-42(30-36)44-26-25-43(45-11-1-2-12-46(44)45)38-21-19-37(20-22-38)41-33-55(53-17-7-9-27-58-53)60-56(34-41)54-18-8-10-28-59-54;53-33-34-27-39(29-40(28-34)48-30-37-11-1-2-12-41(37)44-13-5-6-16-47(44)48)43-24-23-42(45-14-3-4-15-46(43)45)36-21-19-35(20-22-36)38-31-51(49-17-7-9-25-54-49)56-52(32-38)50-18-8-10-26-55-50/h1-34H;1-32H
• InChIKey: ZGAYVZCFSPJLBG-UHFFFAOYSA-N
• XLogP: 27.56
• TPSA: 124.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1475.77
LogP ≤ 5	27.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?

The IUPAC name of 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile (CID 162110199) is 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile.

What is the SMILES notation for 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?

The canonical SMILES for 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile is N#Cc1cc(-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.N#Cc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3ccccc23)c1.

What is the InChIKey of 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?

The InChIKey is ZGAYVZCFSPJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C52H32N4/c57-35-36-29-40(39-23-24-51-49-15-4-3-13-47(49)48-14-5-6-16-50(48)52(51)32-39)31-42(30-36)44-26-25-43(45-11-1-2-12-46(44)45)38-21-19-37(20-22-38)41-33-55(53-17-7-9-27-58-53)60-56(34-41)54-18-8-10-28-59-54;53-33-34-27-39(29-40(28-34)48-30-37-11-1-2-12-41(37)44-13-5-6-16-47(44)48)43-24-23-42(45-14-3-4-15-46(43)45)36-21-19-35(20-22-36)38-31-51(49-17-7-9-25-54-49)56-52(32-38)50-18-8-10-26-55-50/h1-34H;1-32H.

What are the key properties of 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile?

3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile has a molecular weight of 1475.77 g/mol, XLogP of 27.56, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile is sourced from PubChem (CID 162110199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).