2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine

C44H28N2 — CID 167156886

IUPAC2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)nc2)cc1
InChIInChI=1S/C44H28N2/c1-2-12-29(13-3-1)32-22-23-42(45-28-32)44-27-33(40-24-30-14-4-6-16-34(30)36-18-8-10-20-38(36)40)26-43(46-44)41-25-31-15-5-7-17-35(31)37-19-9-11-21-39(37)41/h1-28H
InChIKeyKWAHNLCKVRTWCH-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine

2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine (PubChem CID 167156886) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine
PubChem CID167156886
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)nc2)cc1
InChIInChI=1S/C44H28N2/c1-2-12-29(13-3-1)32-22-23-42(45-28-32)44-27-33(40-24-30-14-4-6-16-34(30)36-18-8-10-20-38(36)40)26-43(46-44)41-25-31-15-5-7-17-35(31)37-19-9-11-21-39(37)41/h1-28H
InChIKeyKWAHNLCKVRTWCH-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-phenanthren-9-yl-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[2,3-b]indole
CID 59326049
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
1-[6-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 159179777
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
1-[6-[5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-pyridinyl]-4-naphthalen-1-yl-2-pyridinyl]isoquinoline
CID 163613760
4-[2-(2-phenanthren-9-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685007
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346

Frequently Asked Questions

What is the IUPAC name of 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine?
The IUPAC name of 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine (CID 167156886) is 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine?
The canonical SMILES for 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine is c1ccc(-c2ccc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4cc5ccccc5c5ccccc45)n3)nc2)cc1.
What is the InChIKey of 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine?
The InChIKey is KWAHNLCKVRTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-12-29(13-3-1)32-22-23-42(45-28-32)44-27-33(40-24-30-14-4-6-16-34(30)36-18-8-10-20-38(36)40)26-43(46-44)41-25-31-15-5-7-17-35(31)37-19-9-11-21-39(37)41/h1-28H.
What are the key properties of 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine?
2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(phenanthren-9-yl)-6-(5-phenyl-2-pyridinyl)pyridine is sourced from PubChem (CID 167156886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).