7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline

C53H33N3 — CID 139445803

IUPAC7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C53H33N3/c1-2-12-36(13-3-1)47-29-27-39-26-28-46-51(45-16-8-9-17-48(45)56-53(46)52(39)55-47)38-22-20-37(21-23-38)49-32-44(42-24-18-34-10-4-6-14-40(34)30-42)33-50(54-49)43-25-19-35-11-5-7-15-41(35)31-43/h1-33H
InChIKeyXNMBGGXCDYNRIB-UHFFFAOYSA-N
MW711.87 g/mol
LogP13.97
Rot. Bonds5

About 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline

7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline (PubChem CID 139445803) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
PubChem CID139445803
Molecular FormulaC53H33N3
Molecular Weight711.87 g/mol
Exact Mass711.27
IUPAC Name7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5nc4c3n2)cc1
InChIInChI=1S/C53H33N3/c1-2-12-36(13-3-1)47-29-27-39-26-28-46-51(45-16-8-9-17-48(45)56-53(46)52(39)55-47)38-22-20-37(21-23-38)49-32-44(42-24-18-34-10-4-6-14-40(34)30-42)33-50(54-49)43-25-19-35-11-5-7-15-41(35)31-43/h1-33H
InChIKeyXNMBGGXCDYNRIB-UHFFFAOYSA-N
XLogP13.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 165096415
7-phenyl-2-[2-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)quinolin-7-yl]benzo[b][1,10]phenanthroline
CID 139445989
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
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;2-phenyl-7-[4-(6-phenylphenanthren-1-yl)phenyl]benzo[b][1,10]phenanthroline
CID 157079025
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline (CID 139445803) is 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2ccc3ccc4c(-c5ccc(-c6cc(-c7ccc8ccccc8c7)cc(-c7ccc8ccccc8c7)n6)cc5)c5ccccc5nc4c3n2)cc1.
What is the InChIKey of 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is XNMBGGXCDYNRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c1-2-12-36(13-3-1)47-29-27-39-26-28-46-51(45-16-8-9-17-48(45)56-53(46)52(39)55-47)38-22-20-37(21-23-38)49-32-44(42-24-18-34-10-4-6-14-40(34)30-42)33-50(54-49)43-25-19-35-11-5-7-15-41(35)31-43/h1-33H.
What are the key properties of 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline?
7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 711.87 g/mol, XLogP of 13.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 139445803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).