2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline

C42H26N2O — CID 90049933

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/C42H26N2O/c1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36/h1-26H
InChIKeyOPDMMYGDUIPQQC-UHFFFAOYSA-N
MW574.68 g/mol
LogP11.35
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline

2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline (PubChem CID 90049933) has the molecular formula C42H26N2O and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
PubChem CID90049933
Molecular FormulaC42H26N2O
Molecular Weight574.68 g/mol
Exact Mass574.20
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/C42H26N2O/c1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36/h1-26H
InChIKeyOPDMMYGDUIPQQC-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-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 90050350
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
2-dibenzofuran-4-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)pyrimidine
CID 130465872
2-dibenzofuran-4-yl-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 129223980
9-[3-[2-[4-(3-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]phenyl]carbazole;4-(3-dibenzofuran-4-ylphenyl)-2-[4-(3-dibenzofuran-4-ylphenyl)-2-pyridinyl]pyridine;4,7-diphenyl-1,10-phenanthroline
CID 158982958
3-(3-dibenzofuran-4-ylphenyl)-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 58410421

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline (CID 90049933) is 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline is c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline?
The InChIKey is OPDMMYGDUIPQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O/c1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36/h1-26H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline?
2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-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-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline is sourced from PubChem (CID 90049933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).