7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline

C142H86N12 — CID 160986724

About 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline

7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline (PubChem CID 160986724) has the molecular formula C142H86N12 and a molecular weight of 1960.33 g/mol. Its IUPAC name is 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

• Compound Name: 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline
• PubChem CID: 160986724
• Molecular Formula: C142H86N12
• Molecular Weight: 1960.33 g/mol
• Exact Mass: 1958.71
• IUPAC Name: 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline
• SMILES: c1ccc(-c2cc(-c3ccc4c(ccc5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc54)c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3ccc4c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3ccccn3)cc(-c3c4ccccc4c(-c4c5ccccc5nc5c4ccc4cccnc45)c4ccccc34)c2)nc1
• InChI: InChI=1S/C50H30N4.2C46H28N4/c1-2-12-38-37(11-1)43-29-32(34-26-35(45-14-5-7-23-51-45)28-36(27-34)46-15-6-8-24-52-46)18-20-39(43)40-21-19-33(30-44(38)40)48-41-13-3-4-16-47(41)54-50-42(48)22-17-31-10-9-25-53-49(31)50;1-3-15-35-33(13-1)42(32-27-30(39-18-7-9-23-47-39)26-31(28-32)40-19-8-10-24-48-40)34-14-2-4-16-36(34)43(35)44-37-17-5-6-20-41(37)50-46-38(44)22-21-29-12-11-25-49-45(29)46;1-2-12-43-38(9-1)44(39-20-17-30-8-7-23-49-45(30)46(39)50-43)33-16-14-29-13-15-32-24-31(18-19-37(32)40(29)28-33)34-25-35(41-10-3-5-21-47-41)27-36(26-34)42-11-4-6-22-48-42/h1-30H;2*1-28H
• InChIKey: TUBPEEAUBBWFNV-UHFFFAOYSA-N
• XLogP: 36.26
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1960.33
LogP ≤ 5	36.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline?

The IUPAC name of 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline (CID 160986724) is 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline.

What is the SMILES notation for 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline?

The canonical SMILES for 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2cc(-c3ccc4c(ccc5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc54)c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3ccc4c5ccc(-c6c7ccccc7nc7c6ccc6cccnc67)cc5c5ccccc5c4c3)cc(-c3ccccn3)c2)nc1.c1ccc(-c2cc(-c3ccccn3)cc(-c3c4ccccc4c(-c4c5ccccc5nc5c4ccc4cccnc45)c4ccccc34)c2)nc1.

What is the InChIKey of 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline?

The InChIKey is TUBPEEAUBBWFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4.2C46H28N4/c1-2-12-38-37(11-1)43-29-32(34-26-35(45-14-5-7-23-51-45)28-36(27-34)46-15-6-8-24-52-46)18-20-39(43)40-21-19-33(30-44(38)40)48-41-13-3-4-16-47(41)54-50-42(48)22-17-31-10-9-25-53-49(31)50;1-3-15-35-33(13-1)42(32-27-30(39-18-7-9-23-47-39)26-31(28-32)40-19-8-10-24-48-40)34-14-2-4-16-36(34)43(35)44-37-17-5-6-20-41(37)50-46-38(44)22-21-29-12-11-25-49-45(29)46;1-2-12-43-38(9-1)44(39-20-17-30-8-7-23-49-45(30)46(39)50-43)33-16-14-29-13-15-32-24-31(18-19-37(32)40(29)28-33)34-25-35(41-10-3-5-21-47-41)27-36(26-34)42-11-4-6-22-48-42/h1-30H;2*1-28H.

What are the key properties of 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline?

7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1960.33 g/mol, XLogP of 36.26, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)phenanthren-3-yl]benzo[b][1,10]phenanthroline;7-[7-(3,5-dipyridin-2-ylphenyl)triphenylen-2-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 160986724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).