2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline

C40H24N2O — CID 134559623

IUPAC2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-32-12-4-6-15-35(32)42-39-33(37)23-21-28-22-24-34(41-38(28)39)26-19-17-25(18-20-26)29-13-8-14-31-30-11-5-7-16-36(30)43-40(29)31/h1-24H
InChIKeyQUYSFRGRDIMZBN-UHFFFAOYSA-N
MW548.65 g/mol
LogP10.84
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline

2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline (PubChem CID 134559623) has the molecular formula C40H24N2O and a molecular weight of 548.65 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
PubChem CID134559623
Molecular FormulaC40H24N2O
Molecular Weight548.65 g/mol
Exact Mass548.19
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-32-12-4-6-15-35(32)42-39-33(37)23-21-28-22-24-34(41-38(28)39)26-19-17-25(18-20-26)29-13-8-14-31-30-11-5-7-16-36(30)43-40(29)31/h1-24H
InChIKeyQUYSFRGRDIMZBN-UHFFFAOYSA-N
XLogP10.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.65
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
CID 90049874
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
7-naphthalen-1-yl-2-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559330
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 90049933
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline;7-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]benzo[b][1,10]phenanthroline;2-phenyl-7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 160566107
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline (CID 134559623) is 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc23)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is QUYSFRGRDIMZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O/c1-2-9-27(10-3-1)37-32-12-4-6-15-35(32)42-39-33(37)23-21-28-22-24-34(41-38(28)39)26-19-17-25(18-20-26)29-13-8-14-31-30-11-5-7-16-36(30)43-40(29)31/h1-24H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline?
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 548.65 g/mol, XLogP of 10.84, 3 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)-7-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).