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

C38H23FN4 — CID 176785225

IUPAC2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)cc4)nc3c2n1
InChIInChI=1S/C38H23FN4/c39-34-23-21-29-19-18-28-20-22-32(40-36(28)37(29)42-34)26-14-10-24(11-15-26)25-12-16-27(17-13-25)35-31-8-4-5-9-33(31)41-38(43-35)30-6-2-1-3-7-30/h1-23H
InChIKeyWTUVHYUIZZAHRD-UHFFFAOYSA-N
MW554.63 g/mol
LogP9.53
Rot. Bonds4

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

2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 176785225) has the molecular formula C38H23FN4 and a molecular weight of 554.63 g/mol. Its IUPAC name is 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
PubChem CID176785225
Molecular FormulaC38H23FN4
Molecular Weight554.63 g/mol
Exact Mass554.19
IUPAC Name2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESFc1ccc2ccc3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)cc4)nc3c2n1
InChIInChI=1S/C38H23FN4/c39-34-23-21-29-19-18-28-20-22-32(40-36(28)37(29)42-34)26-14-10-24(11-15-26)25-12-16-27(17-13-25)35-31-8-4-5-9-33(31)41-38(43-35)30-6-2-1-3-7-30/h1-23H
InChIKeyWTUVHYUIZZAHRD-UHFFFAOYSA-N
XLogP9.53
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.63
LogP ≤ 59.53
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-phenylquinazolin-2-yl)phenyl]-1,10-phenanthroline
CID 176785274
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
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-naphthalen-2-ylphenyl)-9-[4-[4-phenyl-2-(4-phenylphenyl)quinazolin-6-yl]phenyl]-1,10-phenanthroline
CID 134167704
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-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
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
7-phenyl-2-[4-[4-(4-phenylphenyl)quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445853
7-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[c]acridine
CID 144856144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline (CID 176785225) is 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline is Fc1ccc2ccc3ccc(-c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc7ccccc67)cc5)cc4)nc3c2n1.
What is the InChIKey of 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is WTUVHYUIZZAHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23FN4/c39-34-23-21-29-19-18-28-20-22-32(40-36(28)37(29)42-34)26-14-10-24(11-15-26)25-12-16-27(17-13-25)35-31-8-4-5-9-33(31)41-38(43-35)30-6-2-1-3-7-30/h1-23H.
What are the key properties of 2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline?
2-fluoro-9-[4-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 554.63 g/mol, XLogP of 9.53, 4 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-(2-phenylquinazolin-4-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 176785225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).