2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine

C67H43N — CID 176622498

IUPAC2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C67H43N/c1-3-15-44(16-4-1)46-27-29-48(30-28-46)53-42-66(49-33-31-47(32-34-49)45-17-5-2-6-18-45)68-67(43-53)55-38-52(37-54(39-55)64-41-51-19-7-8-20-56(51)57-21-9-13-25-61(57)64)50-35-36-63-60-24-11-10-22-58(60)59-23-12-14-26-62(59)65(63)40-50/h1-43H
InChIKeyIQSARSPAURSQPF-UHFFFAOYSA-N
MW862.09 g/mol
LogP18.52
Rot. Bonds7

About 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine

2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine (PubChem CID 176622498) has the molecular formula C67H43N and a molecular weight of 862.09 g/mol. Its IUPAC name is 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
PubChem CID176622498
Molecular FormulaC67H43N
Molecular Weight862.09 g/mol
Exact Mass861.34
IUPAC Name2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)cc2)cc1
InChIInChI=1S/C67H43N/c1-3-15-44(16-4-1)46-27-29-48(30-28-46)53-42-66(49-33-31-47(32-34-49)45-17-5-2-6-18-45)68-67(43-53)55-38-52(37-54(39-55)64-41-51-19-7-8-20-56(51)57-21-9-13-25-61(57)64)50-35-36-63-60-24-11-10-22-58(60)59-23-12-14-26-62(59)65(63)40-50/h1-43H
InChIKeyIQSARSPAURSQPF-UHFFFAOYSA-N
XLogP18.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.09
LogP ≤ 518.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyridine
CID 59428688
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]triphenylene;2-[3-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]phenyl]triphenylene;2-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylene;2-[4-(4-triphenylen-2-ylphenyl)phenyl]triphenylene
CID 159620221
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
CID 155655416
4-[3-(4,6-diphenyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]-2,6-dimethylpyrimidine
CID 122431113
3-[3-phenanthren-9-yl-5-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622478
4-[3,5-di(phenanthren-9-yl)phenyl]-2,6-diphenylpyrimidine
CID 89416703
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500855
3-[6-[3-phenanthren-9-yl-5-(2-phenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]-9-phenylcarbazole
CID 139500873

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine?
The IUPAC name of 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine (CID 176622498) is 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine?
The canonical SMILES for 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc(-c5cc6ccccc6c6ccccc56)c4)c3)cc2)cc1.
What is the InChIKey of 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine?
The InChIKey is IQSARSPAURSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N/c1-3-15-44(16-4-1)46-27-29-48(30-28-46)53-42-66(49-33-31-47(32-34-49)45-17-5-2-6-18-45)68-67(43-53)55-38-52(37-54(39-55)64-41-51-19-7-8-20-56(51)57-21-9-13-25-61(57)64)50-35-36-63-60-24-11-10-22-58(60)59-23-12-14-26-62(59)65(63)40-50/h1-43H.
What are the key properties of 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine?
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine has a molecular weight of 862.09 g/mol, XLogP of 18.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine is sourced from PubChem (CID 176622498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).