2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

C68H44N2O2 — CID 58693105

IUPAC2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6cc7ccccc7c7ccccc67)c5)c4)c3)cc(-c3cccc(Oc4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C68H44N2O2/c1-3-18-45(19-4-1)63-39-53(41-65(69-63)51-26-16-28-55(37-51)71-67-43-49-22-7-9-30-57(49)59-32-11-13-34-61(59)67)47-24-15-25-48(36-47)54-40-64(46-20-5-2-6-21-46)70-66(42-54)52-27-17-29-56(38-52)72-68-44-50-23-8-10-31-58(50)60-33-12-14-35-62(60)68/h1-44H
InChIKeyGDJROOYKGLSSRL-UHFFFAOYSA-N
MW921.11 g/mol
LogP18.68
Rot. Bonds10

About 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (PubChem CID 58693105) has the molecular formula C68H44N2O2 and a molecular weight of 921.11 g/mol. Its IUPAC name is 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
PubChem CID58693105
Molecular FormulaC68H44N2O2
Molecular Weight921.11 g/mol
Exact Mass920.34
IUPAC Name2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6cc7ccccc7c7ccccc67)c5)c4)c3)cc(-c3cccc(Oc4cc5ccccc5c5ccccc45)c3)n2)cc1
InChIInChI=1S/C68H44N2O2/c1-3-18-45(19-4-1)63-39-53(41-65(69-63)51-26-16-28-55(37-51)71-67-43-49-22-7-9-30-57(49)59-32-11-13-34-61(59)67)47-24-15-25-48(36-47)54-40-64(46-20-5-2-6-21-46)70-66(42-54)52-27-17-29-56(38-52)72-68-44-50-23-8-10-31-58(50)60-33-12-14-35-62(60)68/h1-44H
InChIKeyGDJROOYKGLSSRL-UHFFFAOYSA-N
XLogP18.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.11
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The IUPAC name of 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (CID 58693105) is 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The canonical SMILES for 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(Oc6cc7ccccc7c7ccccc67)c5)c4)c3)cc(-c3cccc(Oc4cc5ccccc5c5ccccc45)c3)n2)cc1.
What is the InChIKey of 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The InChIKey is GDJROOYKGLSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O2/c1-3-18-45(19-4-1)63-39-53(41-65(69-63)51-26-16-28-55(37-51)71-67-43-49-22-7-9-30-57(49)59-32-11-13-34-61(59)67)47-24-15-25-48(36-47)54-40-64(46-20-5-2-6-21-46)70-66(42-54)52-27-17-29-56(38-52)72-68-44-50-23-8-10-31-58(50)60-33-12-14-35-62(60)68/h1-44H.
What are the key properties of 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine has a molecular weight of 921.11 g/mol, XLogP of 18.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenanthren-9-yloxyphenyl)-4-[3-[2-(3-phenanthren-9-yloxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is sourced from PubChem (CID 58693105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).