11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline

C68H40N4 — CID 139407490

About 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline

11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline (PubChem CID 139407490) has the molecular formula C68H40N4 and a molecular weight of 913.10 g/mol. Its IUPAC name is 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline.

Molecular Properties

• Compound Name: 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
• PubChem CID: 139407490
• Molecular Formula: C68H40N4
• Molecular Weight: 913.10 g/mol
• Exact Mass: 912.33
• IUPAC Name: 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
• SMILES: c1ccc(-c2ccc3c4ccc(-c5ccc6ccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8cc(-c9ccc%10ccc%11ccccc%11c%10n9)ccc78)cc6c5)nc4c4ncccc4c3n2)cc1
• InChI: InChI=1S/C68H40N4/c1-2-13-44(14-3-1)60-34-31-56-57-32-35-62(72-68(57)67-58(66(56)71-60)19-10-36-69-67)47-25-20-42-22-27-50(39-51(42)38-47)63-53-17-8-9-18-54(53)64(49-26-21-41-11-4-5-15-46(41)37-49)59-40-48(28-30-55(59)63)61-33-29-45-24-23-43-12-6-7-16-52(43)65(45)70-61/h1-40H
• InChIKey: NWFGNGZLCGRRTI-UHFFFAOYSA-N
• XLogP: 17.98
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.10
LogP ≤ 5	17.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline?

The IUPAC name of 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline (CID 139407490) is 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline.

What is the SMILES notation for 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline?

The canonical SMILES for 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline is c1ccc(-c2ccc3c4ccc(-c5ccc6ccc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8cc(-c9ccc%10ccc%11ccccc%11c%10n9)ccc78)cc6c5)nc4c4ncccc4c3n2)cc1.

What is the InChIKey of 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline?

The InChIKey is NWFGNGZLCGRRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N4/c1-2-13-44(14-3-1)60-34-31-56-57-32-35-62(72-68(57)67-58(66(56)71-60)19-10-36-69-67)47-25-20-42-22-27-50(39-51(42)38-47)63-53-17-8-9-18-54(53)64(49-26-21-41-11-4-5-15-46(41)37-49)59-40-48(28-30-55(59)63)61-33-29-45-24-23-43-12-6-7-16-52(43)65(45)70-61/h1-40H.

What are the key properties of 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline?

11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline has a molecular weight of 913.10 g/mol, XLogP of 17.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline is sourced from PubChem (CID 139407490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).