4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine

C57H37N — CID 90361557

IUPAC4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N/c1-3-15-42(16-4-1)54-36-49(37-55(58-54)43-17-5-2-6-18-43)41-25-23-40(24-26-41)46-31-32-52-53(35-46)57(48-30-28-39-14-8-10-20-45(39)34-48)51-22-12-11-21-50(51)56(52)47-29-27-38-13-7-9-19-44(38)33-47/h1-37H
InChIKeyDDEHHAGOPSWEFL-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.70
Rot. Bonds6

About 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 90361557) has the molecular formula C57H37N and a molecular weight of 735.93 g/mol. Its IUPAC name is 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
PubChem CID90361557
Molecular FormulaC57H37N
Molecular Weight735.93 g/mol
Exact Mass735.29
IUPAC Name4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H37N/c1-3-15-42(16-4-1)54-36-49(37-55(58-54)43-17-5-2-6-18-43)41-25-23-40(24-26-41)46-31-32-52-53(35-46)57(48-30-28-39-14-8-10-20-45(39)34-48)51-22-12-11-21-50(51)56(52)47-29-27-38-13-7-9-19-44(38)33-47/h1-37H
InChIKeyDDEHHAGOPSWEFL-UHFFFAOYSA-N
XLogP15.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2-(9-naphthalen-1-yl-10-naphthalen-2-ylanthracen-2-yl)-4,6-diphenylpyridine
CID 91376653
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6-phenyl-4-(3-phenyl-5-triphenylen-2-ylphenyl)pyridine
CID 130355484
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
2-(9,10-diphenylanthracen-2-yl)-4,6-diphenyl-1,3,5-triazine;4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenylpyridine;2,4-diphenyl-6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3,5-triazine;4,6-diphenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidine
CID 165107477
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine (CID 90361557) is 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is DDEHHAGOPSWEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N/c1-3-15-42(16-4-1)54-36-49(37-55(58-54)43-17-5-2-6-18-43)41-25-23-40(24-26-41)46-31-32-52-53(35-46)57(48-30-28-39-14-8-10-20-45(39)34-48)51-22-12-11-21-50(51)56(52)47-29-27-38-13-7-9-19-44(38)33-47/h1-37H.
What are the key properties of 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine?
4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 735.93 g/mol, XLogP of 15.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 90361557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).