2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

C102H60N12 — CID 161400463

About 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline

2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (PubChem CID 161400463) has the molecular formula C102H60N12 and a molecular weight of 1453.69 g/mol. Its IUPAC name is 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• PubChem CID: 161400463
• Molecular Formula: C102H60N12
• Molecular Weight: 1453.69 g/mol
• Exact Mass: 1452.51
• IUPAC Name: 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
• SMILES: c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7ccc8nc(-c9cccc(-c%10ccc%11ccc%12cccnc%12c%11n%10)c9)ccc8c7)ccc6n5)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ccnc9c8ccc8cccnc89)ccc7c6)ccc5n4)cc3)nc12
• InChI: InChI=1S/C54H32N6.C48H28N6/c1-2-6-33(7-3-1)44-22-15-36-13-14-37-17-27-50(60-54(37)53(36)58-44)49-28-21-43-31-39(19-25-47(43)57-49)38-18-24-46-42(30-38)20-26-45(56-46)40-8-4-9-41(32-40)48-23-16-35-12-11-34-10-5-29-55-51(34)52(35)59-48;1-3-31-9-10-33-12-18-41(54-47(33)45(31)49-24-1)30-7-5-29(6-8-30)40-21-15-36-27-34(13-19-42(36)52-40)35-14-20-43-37(28-35)16-22-44(53-43)38-23-26-51-48-39(38)17-11-32-4-2-25-50-46(32)48/h1-32H;1-28H
• InChIKey: VUEBLGVCCDUKRD-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 154.68 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1453.69
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The IUPAC name of 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline (CID 161400463) is 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline.

What is the SMILES notation for 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The canonical SMILES for 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6cc(-c7ccc8nc(-c9cccc(-c%10ccc%11ccc%12cccnc%12c%11n%10)c9)ccc8c7)ccc6n5)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3ccc(-c4ccc5cc(-c6ccc7nc(-c8ccnc9c8ccc8cccnc89)ccc7c6)ccc5n4)cc3)nc12.

What is the InChIKey of 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

The InChIKey is VUEBLGVCCDUKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6.C48H28N6/c1-2-6-33(7-3-1)44-22-15-36-13-14-37-17-27-50(60-54(37)53(36)58-44)49-28-21-43-31-39(19-25-47(43)57-49)38-18-24-46-42(30-38)20-26-45(56-46)40-8-4-9-41(32-40)48-23-16-35-12-11-34-10-5-29-55-51(34)52(35)59-48;1-3-31-9-10-33-12-18-41(54-47(33)45(31)49-24-1)30-7-5-29(6-8-30)40-21-15-36-27-34(13-19-42(36)52-40)35-14-20-43-37(28-35)16-22-44(53-43)38-23-26-51-48-39(38)17-11-32-4-2-25-50-46(32)48/h1-32H;1-28H.

What are the key properties of 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline?

2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1453.69 g/mol, XLogP of 24.95, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[3-(1,10-phenanthrolin-2-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-6-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 161400463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).