2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine

C56H36N6 — CID 23391279

IUPAC2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C56H36N6/c1-3-15-37(16-4-1)47-21-9-11-25-51(47)61-53(59-49-23-13-29-57-55(49)61)45-34-44(42-28-27-41-31-39-19-7-8-20-40(39)32-43(41)33-42)35-46(36-45)54-60-50-24-14-30-58-56(50)62(54)52-26-12-10-22-48(52)38-17-5-2-6-18-38/h1-36H
InChIKeyOXBOVMLYVYSTFW-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.80
Rot. Bonds7

About 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine

2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 23391279) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
PubChem CID23391279
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccccc2-n2c(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1
InChIInChI=1S/C56H36N6/c1-3-15-37(16-4-1)47-21-9-11-25-51(47)61-53(59-49-23-13-29-57-55(49)61)45-34-44(42-28-27-41-31-39-19-7-8-20-40(39)32-43(41)33-42)35-46(36-45)54-60-50-24-14-30-58-56(50)62(54)52-26-12-10-22-48(52)38-17-5-2-6-18-38/h1-36H
InChIKeyOXBOVMLYVYSTFW-UHFFFAOYSA-N
XLogP13.80
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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2-methyl-1-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-1,3-benzodiazole
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Frequently Asked Questions

What is the IUPAC name of 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (CID 23391279) is 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is c1ccc(-c2ccccc2-n2c(-c3cc(-c4ccc5cc6ccccc6cc5c4)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1.
What is the InChIKey of 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is OXBOVMLYVYSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-3-15-37(16-4-1)47-21-9-11-25-51(47)61-53(59-49-23-13-29-57-55(49)61)45-34-44(42-28-27-41-31-39-19-7-8-20-40(39)32-43(41)33-42)35-46(36-45)54-60-50-24-14-30-58-56(50)62(54)52-26-12-10-22-48(52)38-17-5-2-6-18-38/h1-36H.
What are the key properties of 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-anthracen-2-yl-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).