2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline

C52H32N4 — CID 139445841

IUPAC2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c5ccccc45)nc23)cc1
InChIInChI=1S/C52H32N4/c1-2-14-33(15-3-1)48-42-20-8-9-23-46(42)55-52-43(48)26-24-34-25-27-47(56-51(34)52)50-40-18-6-4-16-38(40)49(39-17-5-7-19-41(39)50)37-31-35(44-21-10-12-28-53-44)30-36(32-37)45-22-11-13-29-54-45/h1-32H
InChIKeyXHAPOLHVLLKDLS-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.37
Rot. Bonds5

About 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline

2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline (PubChem CID 139445841) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
PubChem CID139445841
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c5ccccc45)nc23)cc1
InChIInChI=1S/C52H32N4/c1-2-14-33(15-3-1)48-42-20-8-9-23-46(42)55-52-43(48)26-24-34-25-27-47(56-51(34)52)50-40-18-6-4-16-38(40)49(39-17-5-7-19-41(39)50)37-31-35(44-21-10-12-28-53-44)30-36(32-37)45-22-11-13-29-54-45/h1-32H
InChIKeyXHAPOLHVLLKDLS-UHFFFAOYSA-N
XLogP13.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-7-pyridin-2-ylbenzo[b][1,10]phenanthroline
CID 139446131
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]benzo[b][1,10]phenanthroline
CID 139445668
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
7-phenyl-2-[10-(4-quinolin-2-ylphenyl)anthracen-9-yl]benzo[b][1,10]phenanthroline
CID 134559323
2-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139446127
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-[7-(1,10-phenanthrolin-2-yl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445963
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline;7-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]benzo[b][1,10]phenanthroline;2-phenyl-7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 160566107
2-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445845

Frequently Asked Questions

What is the IUPAC name of 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline (CID 139445841) is 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4c5ccccc5c(-c5cc(-c6ccccn6)cc(-c6ccccn6)c5)c5ccccc45)nc23)cc1.
What is the InChIKey of 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is XHAPOLHVLLKDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-14-33(15-3-1)48-42-20-8-9-23-46(42)55-52-43(48)26-24-34-25-27-47(56-51(34)52)50-40-18-6-4-16-38(40)49(39-17-5-7-19-41(39)50)37-31-35(44-21-10-12-28-53-44)30-36(32-37)45-22-11-13-29-54-45/h1-32H.
What are the key properties of 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline?
2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 712.86 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(3,5-dipyridin-2-ylphenyl)anthracen-9-yl]-7-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 139445841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).