2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline

C42H26N2O — CID 90049902

IUPAC2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)nc4c3n2)cc1
InChIInChI=1S/C42H26N2O/c1-2-6-30(7-3-1)37-23-20-32-18-19-33-21-24-38(44-42(33)41(32)43-37)31-16-14-28(15-17-31)27-10-12-29(13-11-27)34-22-25-40-36(26-34)35-8-4-5-9-39(35)45-40/h1-26H
InChIKeyMAXZBDBWPIFGQB-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline

2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 90049902) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID90049902
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)nc4c3n2)cc1
InChIInChI=1S/C42H26N2O/c1-2-6-30(7-3-1)37-23-20-32-18-19-33-21-24-38(44-42(33)41(32)43-37)31-16-14-28(15-17-31)27-10-12-29(13-11-27)34-22-25-40-36(26-34)35-8-4-5-9-39(35)45-40/h1-26H
InChIKeyMAXZBDBWPIFGQB-UHFFFAOYSA-N
XLogP11.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline
CID 90049952
2-dibenzofuran-2-yl-9-(4-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 90049891
2-[4-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-1,9-phenanthroline
CID 164945027
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
2-(4-dibenzofuran-2-ylphenyl)-9-dibenzothiophen-4-yl-1,10-phenanthroline
CID 90050253
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
2-(4-dibenzofuran-2-ylphenyl)-5-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 147052468
2-(4-bromophenyl)-9-phenyl-1,10-phenanthroline;dibenzofuran-2-ylboronic acid;2-(4-dibenzofuran-2-ylphenyl)-9-phenyl-1,10-phenanthroline;1,4-dibromobenzene;1,10-phenanthroline;2-phenyl-1,10-phenanthroline
CID 158637922
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline (CID 90049902) is 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is MAXZBDBWPIFGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-2-6-30(7-3-1)37-23-20-32-18-19-33-21-24-38(44-42(33)41(32)43-37)31-16-14-28(15-17-31)27-10-12-29(13-11-27)34-22-25-40-36(26-34)35-8-4-5-9-39(35)45-40/h1-26H.
What are the key properties of 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline?
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 574.68 g/mol, XLogP of 11.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 90049902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).