2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine

C47H31N — CID 155655416

IUPAC2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N/c1-4-14-33(15-5-1)42-30-44-41-23-13-11-21-39(41)43(31-45(44)40-22-12-10-20-38(40)42)34-26-24-32(25-27-34)37-28-46(35-16-6-2-7-17-35)48-47(29-37)36-18-8-3-9-19-36/h1-31H
InChIKeyVTKSPJXCAOJEBU-UHFFFAOYSA-N
MW609.77 g/mol
LogP12.88
Rot. Bonds5

About 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine

2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine (PubChem CID 155655416) has the molecular formula C47H31N and a molecular weight of 609.77 g/mol. Its IUPAC name is 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine.

Molecular Properties

Compound Name2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
PubChem CID155655416
Molecular FormulaC47H31N
Molecular Weight609.77 g/mol
Exact Mass609.25
IUPAC Name2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N/c1-4-14-33(15-5-1)42-30-44-41-23-13-11-21-39(41)43(31-45(44)40-22-12-10-20-38(40)42)34-26-24-32(25-27-34)37-28-46(35-16-6-2-7-17-35)48-47(29-37)36-18-8-3-9-19-36/h1-31H
InChIKeyVTKSPJXCAOJEBU-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

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-di(triphenylen-2-yl)benzo[h]quinoline
CID 89137414
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
4-[4-(12-phenylchrysen-6-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 155655346
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
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-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
6-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,3-diphenylbenzo[f]quinoline
CID 166568781

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine?
The IUPAC name of 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine (CID 155655416) is 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine.
What is the SMILES notation for 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine?
The canonical SMILES for 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine is c1ccc(-c2cc(-c3ccc(-c4cc5c6ccccc6c(-c6ccccc6)cc5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine?
The InChIKey is VTKSPJXCAOJEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N/c1-4-14-33(15-5-1)42-30-44-41-23-13-11-21-39(41)43(31-45(44)40-22-12-10-20-38(40)42)34-26-24-32(25-27-34)37-28-46(35-16-6-2-7-17-35)48-47(29-37)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)phenyl]pyridine?
2,6-diphenyl-4-[4-(12-phenylchrysen-6-yl)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-(12-phenylchrysen-6-yl)phenyl]pyridine is sourced from PubChem (CID 155655416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).