2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine

C47H31N3 — CID 89491882

IUPAC2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cn5)c5ccccc5c(-c5ccc(-c6ccccc6)cn5)c4c3)nc2)cc1
InChIInChI=1S/C47H31N3/c1-4-12-32(13-5-1)36-21-25-43(48-29-36)35-20-24-41-42(28-35)47(45-27-23-38(31-50-45)34-16-8-3-9-17-34)40-19-11-10-18-39(40)46(41)44-26-22-37(30-49-44)33-14-6-2-7-15-33/h1-31H
InChIKeyLJCQKUFZMRXRPE-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.18
Rot. Bonds6

About 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine

2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine (PubChem CID 89491882) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine.

Molecular Properties

Compound Name2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
PubChem CID89491882
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
SMILESc1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cn5)c5ccccc5c(-c5ccc(-c6ccccc6)cn5)c4c3)nc2)cc1
InChIInChI=1S/C47H31N3/c1-4-12-32(13-5-1)36-21-25-43(48-29-36)35-20-24-41-42(28-35)47(45-27-23-38(31-50-45)34-16-8-3-9-17-34)40-19-11-10-18-39(40)46(41)44-26-22-37(30-49-44)33-14-6-2-7-15-33/h1-31H
InChIKeyLJCQKUFZMRXRPE-UHFFFAOYSA-N
XLogP12.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2-[2,6-diphenyl-10-(4-phenyl-2-pyridinyl)anthracen-9-yl]-4-phenylpyridine;2-[2,6-diphenyl-10-(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine;5-[2,6-diphenyl-10-(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;5-phenyl-2-[10-(5-phenyl-2-pyridinyl)-2,6-dipyridin-3-ylanthracen-9-yl]pyridine
CID 160833026
2-phenyl-4-[2-phenyl-10-(2-phenyl-4-pyridinyl)anthracen-9-yl]pyridine;3-phenyl-5-[2-phenyl-10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine;2-phenyl-5-[10-(6-phenyl-3-pyridinyl)anthracen-9-yl]pyridine;4-phenyl-2-[10-(4-phenyl-2-pyridinyl)anthracen-9-yl]pyridine;5-phenyl-2-[10-(5-phenyl-2-pyridinyl)anthracen-9-yl]pyridine
CID 159024222
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
CID 162392887
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
2-phenyl-5-[9-(5-phenylcyclohepta-1,4,6-trien-1-yl)-10-(6-phenyl-3-pyridinyl)anthracen-2-yl]pyridine
CID 134218966
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
CID 90361500
2-phenyl-4-(4-phenylphenyl)-6-[7-(5-pyridin-4-yl-2-pyridinyl)triphenylen-2-yl]-1,3,5-triazine
CID 134380984
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620

Frequently Asked Questions

What is the IUPAC name of 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine?
The IUPAC name of 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine (CID 89491882) is 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine.
What is the SMILES notation for 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine?
The canonical SMILES for 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine is c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cn5)c5ccccc5c(-c5ccc(-c6ccccc6)cn5)c4c3)nc2)cc1.
What is the InChIKey of 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine?
The InChIKey is LJCQKUFZMRXRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-12-32(13-5-1)36-21-25-43(48-29-36)35-20-24-41-42(28-35)47(45-27-23-38(31-50-45)34-16-8-3-9-17-34)40-19-11-10-18-39(40)46(41)44-26-22-37(30-49-44)33-14-6-2-7-15-33/h1-31H.
What are the key properties of 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine?
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine has a molecular weight of 637.79 g/mol, XLogP of 12.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine is sourced from PubChem (CID 89491882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).