3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine

C168H111N9 — CID 164984290

IUPAC3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/3C56H37N3/c1-4-17-38(18-5-1)52-31-30-48(54(57-52)39-19-6-2-7-20-39)45-34-44(35-46(36-45)51-37-42-23-10-11-26-47(42)49-27-12-13-28-50(49)51)41-24-16-25-43(33-41)56-55(40-21-8-3-9-22-40)58-53-29-14-15-32-59(53)56;1-4-17-38(18-5-1)45-36-52(39-19-6-2-7-20-39)57-53(37-45)47-33-44(32-46(34-47)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56;1-4-17-38(18-5-1)52-36-46(37-53(57-52)39-19-6-2-7-20-39)45-32-44(33-47(34-45)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56/h3*1-37H
InChIKeyFXXZBCWRBBEOIK-UHFFFAOYSA-N
MW2255.80 g/mol
LogP44.11
Rot. Bonds21

About 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine

3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 164984290) has the molecular formula C168H111N9 and a molecular weight of 2255.80 g/mol. Its IUPAC name is 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID164984290
Molecular FormulaC168H111N9
Molecular Weight2255.80 g/mol
Exact Mass2253.90
IUPAC Name3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2cc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/3C56H37N3/c1-4-17-38(18-5-1)52-31-30-48(54(57-52)39-19-6-2-7-20-39)45-34-44(35-46(36-45)51-37-42-23-10-11-26-47(42)49-27-12-13-28-50(49)51)41-24-16-25-43(33-41)56-55(40-21-8-3-9-22-40)58-53-29-14-15-32-59(53)56;1-4-17-38(18-5-1)45-36-52(39-19-6-2-7-20-39)57-53(37-45)47-33-44(32-46(34-47)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56;1-4-17-38(18-5-1)52-36-46(37-53(57-52)39-19-6-2-7-20-39)45-32-44(33-47(34-45)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56/h3*1-37H
InChIKeyFXXZBCWRBBEOIK-UHFFFAOYSA-N
XLogP44.11
TPSA90.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms177
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002255.80
LogP ≤ 544.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine (CID 164984290) is 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine is c1ccc(-c2cc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc(-c5c(-c6ccccc6)nc6ccccn56)c4)cc(-c4cc5ccccc5c5ccccc45)c3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is FXXZBCWRBBEOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H37N3/c1-4-17-38(18-5-1)52-31-30-48(54(57-52)39-19-6-2-7-20-39)45-34-44(35-46(36-45)51-37-42-23-10-11-26-47(42)49-27-12-13-28-50(49)51)41-24-16-25-43(33-41)56-55(40-21-8-3-9-22-40)58-53-29-14-15-32-59(53)56;1-4-17-38(18-5-1)45-36-52(39-19-6-2-7-20-39)57-53(37-45)47-33-44(32-46(34-47)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56;1-4-17-38(18-5-1)52-36-46(37-53(57-52)39-19-6-2-7-20-39)45-32-44(33-47(34-45)51-35-42-23-10-11-26-48(42)49-27-12-13-28-50(49)51)41-24-16-25-43(31-41)56-55(40-21-8-3-9-22-40)58-54-29-14-15-30-59(54)56/h3*1-37H.
What are the key properties of 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 2255.80 g/mol, XLogP of 44.11, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,6-diphenyl-3-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 164984290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).