2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine

C47H31N — CID 139518099

IUPAC2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N/c1-3-12-34(13-4-1)46-30-39(31-47(48-46)35-14-5-2-6-15-35)33-24-22-32(23-25-33)36-16-11-17-37(28-36)38-26-27-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)45(44)29-38/h1-31H
InChIKeyCJFWLQGIXBGFHD-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.88
Rot. Bonds5

About 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine

2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine (PubChem CID 139518099) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
PubChem CID139518099
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N/c1-3-12-34(13-4-1)46-30-39(31-47(48-46)35-14-5-2-6-15-35)33-24-22-32(23-25-33)36-16-11-17-37(28-36)38-26-27-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)45(44)29-38/h1-31H
InChIKeyCJFWLQGIXBGFHD-UHFFFAOYSA-N
XLogP12.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 512.88
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

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
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-(3-phenanthren-9-yl-5-triphenylen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyridine
CID 176622498
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The IUPAC name of 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine (CID 139518099) is 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
The InChIKey is CJFWLQGIXBGFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-3-12-34(13-4-1)46-30-39(31-47(48-46)35-14-5-2-6-15-35)33-24-22-32(23-25-33)36-16-11-17-37(28-36)38-26-27-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)45(44)29-38/h1-31H.
What are the key properties of 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine?
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine has a molecular weight of 609.77 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 139518099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).