2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline

C32H19FN4 — CID 176785274

IUPAC2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)nc3c2n1
InChIInChI=1S/C32H19FN4/c33-28-19-17-23-13-12-22-16-18-26(34-30(22)31(23)36-28)20-10-14-24(15-11-20)32-35-27-9-5-4-8-25(27)29(37-32)21-6-2-1-3-7-21/h1-19H
InChIKeyIYLNFEVEDAWHKW-UHFFFAOYSA-N
MW478.53 g/mol
LogP7.87
Rot. Bonds3

About 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline

2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 176785274) has the molecular formula C32H19FN4 and a molecular weight of 478.53 g/mol. Its IUPAC name is 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID176785274
Molecular FormulaC32H19FN4
Molecular Weight478.53 g/mol
Exact Mass478.16
IUPAC Name2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)nc3c2n1
InChIInChI=1S/C32H19FN4/c33-28-19-17-23-13-12-22-16-18-26(34-30(22)31(23)36-28)20-10-14-24(15-11-20)32-35-27-9-5-4-8-25(27)29(37-32)21-6-2-1-3-7-21/h1-19H
InChIKeyIYLNFEVEDAWHKW-UHFFFAOYSA-N
XLogP7.87
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.53
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785225
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyrimidin-2-yl-1,10-phenanthroline
CID 171732218
9-(4-anthracen-9-ylphenyl)-2,4-diphenylpyrido[3,2-h]quinazoline
CID 156574283
2-(4-bromophenyl)-4-phenylquinazoline
CID 11325886
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
2-(3-naphthalen-2-ylphenyl)-9-[4-[4-phenyl-2-(4-phenylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167704
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 146230955
2-[4-(6-phenanthridin-6-yl-2-pyridinyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 171832717
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline (CID 176785274) is 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline is Fc1ccc2ccc3ccc(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)nc3c2n1.
What is the InChIKey of 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is IYLNFEVEDAWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN4/c33-28-19-17-23-13-12-22-16-18-26(34-30(22)31(23)36-28)20-10-14-24(15-11-20)32-35-27-9-5-4-8-25(27)29(37-32)21-6-2-1-3-7-21/h1-19H.
What are the key properties of 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline?
2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 478.53 g/mol, XLogP of 7.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-9-[4-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 176785274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).