2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline

C36H21FN6 — CID 176785135

IUPAC2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5ccc6c(-c7ccccn7)nc(-c7ccccn7)nc6c5)cc4)nc3c2n1
InChIInChI=1S/C36H21FN6/c37-32-18-15-25-12-11-24-14-17-28(40-33(24)34(25)42-32)23-9-7-22(8-10-23)26-13-16-27-31(21-26)41-36(30-6-2-4-20-39-30)43-35(27)29-5-1-3-19-38-29/h1-21H
InChIKeyPIHBUWLNCOLINW-UHFFFAOYSA-N
MW556.60 g/mol
LogP8.32
Rot. Bonds4

About 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline

2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline (PubChem CID 176785135) has the molecular formula C36H21FN6 and a molecular weight of 556.60 g/mol. Its IUPAC name is 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline
PubChem CID176785135
Molecular FormulaC36H21FN6
Molecular Weight556.60 g/mol
Exact Mass556.18
IUPAC Name2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5ccc6c(-c7ccccn7)nc(-c7ccccn7)nc6c5)cc4)nc3c2n1
InChIInChI=1S/C36H21FN6/c37-32-18-15-25-12-11-24-14-17-28(40-33(24)34(25)42-32)23-9-7-22(8-10-23)26-13-16-27-31(21-26)41-36(30-6-2-4-20-39-30)43-35(27)29-5-1-3-19-38-29/h1-21H
InChIKeyPIHBUWLNCOLINW-UHFFFAOYSA-N
XLogP8.32
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.60
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

7-(4-{[4-(6-fluoro-1H-1,3-benzodiazol-2-yl)piperidin-1-yl]methyl}phenyl)-6-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 11670972
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
(5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine
CID 10238224
N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
CID 463102
6-(9H-acridin-10-ylmethyl)pteridine-2,4-diamine
CID 483225
Eilatine
CID 149352
Baquiloprim
CID 9861430
Dibenzo(f,h)pyrido(2,3-b)quinoxaline
CID 258692
Pyrido[3,4-G]quinazoline-2,10-Diamine
CID 118988439
N-[4-(3-aminocyclohexen-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)quinazolin-8-amine
CID 46186002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline?
The IUPAC name of 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline (CID 176785135) is 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline?
The canonical SMILES for 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline is Fc1ccc2ccc3ccc(-c4ccc(-c5ccc6c(-c7ccccn7)nc(-c7ccccn7)nc6c5)cc4)nc3c2n1.
What is the InChIKey of 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline?
The InChIKey is PIHBUWLNCOLINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21FN6/c37-32-18-15-25-12-11-24-14-17-28(40-33(24)34(25)42-32)23-9-7-22(8-10-23)26-13-16-27-31(21-26)41-36(30-6-2-4-20-39-30)43-35(27)29-5-1-3-19-38-29/h1-21H.
What are the key properties of 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline?
2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline has a molecular weight of 556.60 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dipyridin-2-ylquinazolin-7-yl)phenyl]-9-fluoro-1,10-phenanthroline is sourced from PubChem (CID 176785135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).