6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine

C89H53N11S2 — CID 167648072

About 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine

6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine (PubChem CID 167648072) has the molecular formula C89H53N11S2 and a molecular weight of 1340.61 g/mol. Its IUPAC name is 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine.

Molecular Properties

• Compound Name: 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
• PubChem CID: 167648072
• Molecular Formula: C89H53N11S2
• Molecular Weight: 1340.61 g/mol
• Exact Mass: 1339.39
• IUPAC Name: 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
• SMILES: c1ccc(-c2cc3c(-c4cccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)c4)nc4ccccc4c3c3nsnc23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccccc7c7c6cc(-c6ccccc6)c6nsnc67)c5)nc4c3n2)cc1
• InChI: InChI=1S/C46H28N6S.C43H25N5S/c1-2-11-31(12-3-1)36-28-37-43(46-45(36)51-53-52-46)35-15-4-5-16-38(35)50-44(37)33-14-10-13-32(25-33)29-19-21-30(22-20-29)34-26-41(39-17-6-8-23-47-39)49-42(27-34)40-18-7-9-24-48-40;1-3-10-26(11-4-1)33-25-34-38(43-42(33)47-49-48-43)32-16-7-8-17-37(32)46-39(34)31-15-9-14-30(24-31)36-23-21-29-19-18-28-20-22-35(27-12-5-2-6-13-27)44-40(28)41(29)45-36/h1-28H;1-25H
• InChIKey: QDYWDVOETSHGGJ-UHFFFAOYSA-N
• XLogP: 22.74
• TPSA: 141.79 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1340.61
LogP ≤ 5	22.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?

The IUPAC name of 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine (CID 167648072) is 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine.

What is the SMILES notation for 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?

The canonical SMILES for 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine is c1ccc(-c2cc3c(-c4cccc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)c4)nc4ccccc4c3c3nsnc23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6nc7ccccc7c7c6cc(-c6ccccc6)c6nsnc67)c5)nc4c3n2)cc1.

What is the InChIKey of 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?

The InChIKey is QDYWDVOETSHGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N6S.C43H25N5S/c1-2-11-31(12-3-1)36-28-37-43(46-45(36)51-53-52-46)35-15-4-5-16-38(35)50-44(37)33-14-10-13-32(25-33)29-19-21-30(22-20-29)34-26-41(39-17-6-8-23-47-39)49-42(27-34)40-18-7-9-24-48-40;1-3-10-26(11-4-1)33-25-34-38(43-42(33)47-49-48-43)32-16-7-8-17-37(32)46-39(34)31-15-9-14-30(24-31)36-23-21-29-19-18-28-20-22-35(27-12-5-2-6-13-27)44-40(28)41(29)45-36/h1-28H;1-25H.

What are the key properties of 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine?

6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine has a molecular weight of 1340.61 g/mol, XLogP of 22.74, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-4-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;4-phenyl-6-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine is sourced from PubChem (CID 167648072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).