2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine

C54H38N2 — CID 129305562

IUPAC2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)Cc2c1c(-c1ccc(-c3ccccn3)cc1)c1ccccc1c2-c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C54H38N2/c1-3-13-37(14-4-1)44-33-45(38-15-5-2-6-16-38)35-46(34-44)43-29-30-49-50(36-43)54(42-27-23-40(24-28-42)52-20-10-12-32-56-52)48-18-8-7-17-47(48)53(49)41-25-21-39(22-26-41)51-19-9-11-31-55-51/h1-35,43H,36H2
InChIKeyNMEDSCZEWBQXQL-UHFFFAOYSA-N
MW714.91 g/mol
LogP13.98
Rot. Bonds7

About 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine

2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine (PubChem CID 129305562) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
PubChem CID129305562
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
SMILESC1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)Cc2c1c(-c1ccc(-c3ccccn3)cc1)c1ccccc1c2-c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C54H38N2/c1-3-13-37(14-4-1)44-33-45(38-15-5-2-6-16-38)35-46(34-44)43-29-30-49-50(36-43)54(42-27-23-40(24-28-42)52-20-10-12-32-56-52)48-18-8-7-17-47(48)53(49)41-25-21-39(22-26-41)51-19-9-11-31-55-51/h1-35,43H,36H2
InChIKeyNMEDSCZEWBQXQL-UHFFFAOYSA-N
XLogP13.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
4,6-diphenyl-2-[3-(4-phenylphenyl)-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 122549117
2,4-diphenyl-6-[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,3,5-triazine
CID 59510699
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
2-[4-[2-methyl-3-(3-methyl-3,5-diphenylcyclohexa-1,5-dien-1-yl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine
CID 170063372
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
4,6-diphenyl-2-[3-(4-pyridin-2-ylphenyl)-5-(4-pyrimidin-2-ylphenyl)phenyl]pyrimidine
CID 129292650
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 153197016
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The IUPAC name of 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine (CID 129305562) is 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine is C1=CC(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)Cc2c1c(-c1ccc(-c3ccccn3)cc1)c1ccccc1c2-c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
The InChIKey is NMEDSCZEWBQXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-13-37(14-4-1)44-33-45(38-15-5-2-6-16-38)35-46(34-44)43-29-30-49-50(36-43)54(42-27-23-40(24-28-42)52-20-10-12-32-56-52)48-18-8-7-17-47(48)53(49)41-25-21-39(22-26-41)51-19-9-11-31-55-51/h1-35,43H,36H2.
What are the key properties of 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine?
2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine has a molecular weight of 714.91 g/mol, XLogP of 13.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-diphenylphenyl)-10-(4-pyridin-2-ylphenyl)-1,2-dihydroanthracen-9-yl]phenyl]pyridine is sourced from PubChem (CID 129305562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).