2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline

C28H17BrN2 — CID 164519373

IUPAC2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C28H17BrN2/c29-21-12-9-18(10-13-21)22-14-15-25(24-6-2-1-5-23(22)24)26-16-11-20-8-7-19-4-3-17-30-27(19)28(20)31-26/h1-17H
InChIKeyIHKHCEVGTVZVLR-UHFFFAOYSA-N
MW461.36 g/mol
LogP8.03
Rot. Bonds2

About 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline

2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 164519373) has the molecular formula C28H17BrN2 and a molecular weight of 461.36 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
PubChem CID164519373
Molecular FormulaC28H17BrN2
Molecular Weight461.36 g/mol
Exact Mass460.06
IUPAC Name2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
SMILESBrc1ccc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1
InChIInChI=1S/C28H17BrN2/c29-21-12-9-18(10-13-21)22-14-15-25(24-6-2-1-5-23(22)24)26-16-11-20-8-7-19-4-3-17-30-27(19)28(20)31-26/h1-17H
InChIKeyIHKHCEVGTVZVLR-UHFFFAOYSA-N
XLogP8.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.36
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1,10-phenanthroline
CID 160537986
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
2-[4-[4-(3,4,5-triphenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508849
2-[4-[4-(2,4,5-triphenylthiophen-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508837
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
2-[4-[4-(5-naphthalen-1-ylfuran-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509123
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2-[4-[4-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 168797186
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
CID 134167279
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
2-[4-[7-(2-pyridin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164780676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline?
The IUPAC name of 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline (CID 164519373) is 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline is Brc1ccc(-c2ccc(-c3ccc4ccc5cccnc5c4n3)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline?
The InChIKey is IHKHCEVGTVZVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrN2/c29-21-12-9-18(10-13-21)22-14-15-25(24-6-2-1-5-23(22)24)26-16-11-20-8-7-19-4-3-17-30-27(19)28(20)31-26/h1-17H.
What are the key properties of 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline?
2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 461.36 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 164519373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).