2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

C98H66N10 — CID 158742233

About 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 158742233) has the molecular formula C98H66N10 and a molecular weight of 1383.68 g/mol. Its IUPAC name is 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 158742233
• Molecular Formula: C98H66N10
• Molecular Weight: 1383.68 g/mol
• Exact Mass: 1382.55
• IUPAC Name: 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• SMILES: CCc1nc2c3c(-c4cccc(-c5ccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc5)c4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)nc4ccccc4c3ccc2n1-c1ccccc1
• InChI: InChI=1S/C52H35N5.C46H31N5/c1-2-47-56-52-46(57(47)40-16-7-4-8-17-40)31-28-42-41-18-9-10-19-45(41)55-49(48(42)52)39-15-11-14-38(32-39)33-20-22-35(23-21-33)44-30-27-37-25-24-36-26-29-43(34-12-5-3-6-13-34)53-50(36)51(37)54-44;1-2-41-50-46-40(51(41)35-13-4-3-5-14-35)26-24-37-36-15-6-7-16-39(36)49-43(42(37)46)34-11-8-10-33(28-34)29-17-19-30(20-18-29)38-25-23-32-22-21-31-12-9-27-47-44(31)45(32)48-38/h3-32H,2H2,1H3;3-28H,2H2,1H3
• InChIKey: IMLBVGFDSRMYLX-UHFFFAOYSA-N
• XLogP: 24.44
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1383.68
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The IUPAC name of 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (CID 158742233) is 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

What is the SMILES notation for 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The canonical SMILES for 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4cccc(-c5ccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)cc5)c4)nc4ccccc4c3ccc2n1-c1ccccc1.CCc1nc2c3c(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)cc5)c4)nc4ccccc4c3ccc2n1-c1ccccc1.

What is the InChIKey of 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The InChIKey is IMLBVGFDSRMYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5.C46H31N5/c1-2-47-56-52-46(57(47)40-16-7-4-8-17-40)31-28-42-41-18-9-10-19-45(41)55-49(48(42)52)39-15-11-14-38(32-39)33-20-22-35(23-21-33)44-30-27-37-25-24-36-26-29-43(34-12-5-3-6-13-34)53-50(36)51(37)54-44;1-2-41-50-46-40(51(41)35-13-4-3-5-14-35)26-24-37-36-15-6-7-16-39(36)49-43(42(37)46)34-11-8-10-33(28-34)29-17-19-30(20-18-29)38-25-23-32-22-21-31-12-9-27-47-44(31)45(32)48-38/h3-32H,2H2,1H3;3-28H,2H2,1H3.

What are the key properties of 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 1383.68 g/mol, XLogP of 24.44, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-1-phenylimidazo[4,5-i]phenanthridine;2-ethyl-1-phenyl-4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 158742233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).