2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine

C52H32N2 — CID 90361500

IUPAC2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
SMILESc1cncc(-c2ccc(-c3ccc4c(-c5cc6ccccc6c6ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)nc2)c1
InChIInChI=1S/C52H32N2/c1-3-15-38-33(12-1)28-47(42-19-7-5-17-40(38)42)51-44-21-9-10-22-45(44)52(48-29-34-13-2-4-16-39(34)41-18-6-8-20-43(41)48)49-30-35(23-25-46(49)51)50-26-24-37(32-54-50)36-14-11-27-53-31-36/h1-32H
InChIKeyQMNLGUGFZLCGPR-UHFFFAOYSA-N
MW684.84 g/mol
LogP14.06
Rot. Bonds4

About 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine

2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine (PubChem CID 90361500) has the molecular formula C52H32N2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
PubChem CID90361500
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
IUPAC Name2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine
SMILESc1cncc(-c2ccc(-c3ccc4c(-c5cc6ccccc6c6ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)nc2)c1
InChIInChI=1S/C52H32N2/c1-3-15-38-33(12-1)28-47(42-19-7-5-17-40(38)42)51-44-21-9-10-22-45(44)52(48-29-34-13-2-4-16-39(34)41-18-6-8-20-43(41)48)49-30-35(23-25-46(49)51)50-26-24-37(32-54-50)36-14-11-27-53-31-36/h1-32H
InChIKeyQMNLGUGFZLCGPR-UHFFFAOYSA-N
XLogP14.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-pyridin-4-ylpyridine
CID 90361809
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
5-[9,10-bis(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-2-pyridin-3-ylpyridine
CID 90361785
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
2-naphtho[2,3-b][1]benzofuran-2-yl-5-(10-phenanthren-9-ylanthracen-9-yl)pyridine
CID 134530996
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
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
5-[3-[10-(7-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-2-pyridin-3-ylpyridine
CID 88554768

Frequently Asked Questions

What is the IUPAC name of 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine?
The IUPAC name of 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine (CID 90361500) is 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine is c1cncc(-c2ccc(-c3ccc4c(-c5cc6ccccc6c6ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)nc2)c1.
What is the InChIKey of 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine?
The InChIKey is QMNLGUGFZLCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-15-38-33(12-1)28-47(42-19-7-5-17-40(38)42)51-44-21-9-10-22-45(44)52(48-29-34-13-2-4-16-39(34)41-18-6-8-20-43(41)48)49-30-35(23-25-46(49)51)50-26-24-37(32-54-50)36-14-11-27-53-31-36/h1-32H.
What are the key properties of 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine?
2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine has a molecular weight of 684.84 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,10-di(phenanthren-9-yl)anthracen-2-yl]-5-pyridin-3-ylpyridine is sourced from PubChem (CID 90361500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).