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

C48H28N2O2 — CID 90050316

IUPAC4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccnc45)cc3)cc12
InChIInChI=1S/C48H28N2O2/c1-3-7-43-37(5-1)41-27-33(17-21-45(41)51-43)29-9-13-31(14-10-29)35-23-25-49-47-39(35)19-20-40-36(24-26-50-48(40)47)32-15-11-30(12-16-32)34-18-22-46-42(28-34)38-6-2-4-8-44(38)52-46/h1-28H
InChIKeyVDNWQQNYAWZJFE-UHFFFAOYSA-N
MW664.76 g/mol
LogP13.25
Rot. Bonds4

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

4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline (PubChem CID 90050316) has the molecular formula C48H28N2O2 and a molecular weight of 664.76 g/mol. Its IUPAC name is 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
PubChem CID90050316
Molecular FormulaC48H28N2O2
Molecular Weight664.76 g/mol
Exact Mass664.22
IUPAC Name4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccnc45)cc3)cc12
InChIInChI=1S/C48H28N2O2/c1-3-7-43-37(5-1)41-27-33(17-21-45(41)51-43)29-9-13-31(14-10-29)35-23-25-49-47-39(35)19-20-40-36(24-26-50-48(40)47)32-15-11-30(12-16-32)34-18-22-46-42(28-34)38-6-2-4-8-44(38)52-46/h1-28H
InChIKeyVDNWQQNYAWZJFE-UHFFFAOYSA-N
XLogP13.25
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.76
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(4-dibenzofuran-2-ylphenyl)pyrido[2,3-f]quinoxaline
CID 118242597
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
10-[2-(8-phenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858651
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
2-[4-(4-methylnaphthalen-1-yl)phenyl]dibenzofuran
CID 67964760
2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
6-[3-[4-(4-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063531
2-(4-fluoranthen-3-ylphenyl)dibenzofuran
CID 121287650
4-[3-[4-([1]benzofuro[3,2-b]pyridin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336353
4-[7-(3-dibenzofuran-2-ylphenyl)benzo[b][1,10]phenanthrolin-10-yl]-7-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 165067855
2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 90049933

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline (CID 90050316) is 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccnc5c4ccc4c(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)ccnc45)cc3)cc12.
What is the InChIKey of 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is VDNWQQNYAWZJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2/c1-3-7-43-37(5-1)41-27-33(17-21-45(41)51-43)29-9-13-31(14-10-29)35-23-25-49-47-39(35)19-20-40-36(24-26-50-48(40)47)32-15-11-30(12-16-32)34-18-22-46-42(28-34)38-6-2-4-8-44(38)52-46/h1-28H.
What are the key properties of 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline?
4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 664.76 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 90050316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).