2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline

C48H28N2O — CID 134410345

IUPAC2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc5c4n3)cc12
InChIInChI=1S/C48H28N2O/c1-2-9-37-35(7-1)36-8-3-4-10-38(36)41-27-33(19-23-39(37)41)29-13-15-30(16-14-29)43-24-20-31-17-18-32-21-25-44(50-48(32)47(31)49-43)34-22-26-46-42(28-34)40-11-5-6-12-45(40)51-46/h1-28H
InChIKeyXCPBUPVMVJWOJO-UHFFFAOYSA-N
MW648.77 g/mol
LogP13.14
Rot. Bonds3

About 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline

2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline (PubChem CID 134410345) has the molecular formula C48H28N2O and a molecular weight of 648.77 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
PubChem CID134410345
Molecular FormulaC48H28N2O
Molecular Weight648.77 g/mol
Exact Mass648.22
IUPAC Name2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc5c4n3)cc12
InChIInChI=1S/C48H28N2O/c1-2-9-37-35(7-1)36-8-3-4-10-38(36)41-27-33(19-23-39(37)41)29-13-15-30(16-14-29)43-24-20-31-17-18-32-21-25-44(50-48(32)47(31)49-43)34-22-26-46-42(28-34)40-11-5-6-12-45(40)51-46/h1-28H
InChIKeyXCPBUPVMVJWOJO-UHFFFAOYSA-N
XLogP13.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 513.14
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-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
2-dibenzofuran-2-yl-9-(4-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 90049891
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline
CID 90049952
2-(4-dibenzofuran-2-ylphenyl)-9-dibenzothiophen-4-yl-1,10-phenanthroline
CID 90050253
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049914
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
2-(27-oxaheptacyclo[16.11.0.02,11.03,8.012,17.020,28.021,26]nonacosa-1(29),2(11),3,5,7,9,12,14,16,18,20(28),21(26),22,24-tetradecaen-23-yl)-1,10-phenanthroline
CID 146511117
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 167567887

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline (CID 134410345) is 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline is c1ccc2c(c1)oc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc5c4n3)cc12.
What is the InChIKey of 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline?
The InChIKey is XCPBUPVMVJWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O/c1-2-9-37-35(7-1)36-8-3-4-10-38(36)41-27-33(19-23-39(37)41)29-13-15-30(16-14-29)43-24-20-31-17-18-32-21-25-44(50-48(32)47(31)49-43)34-22-26-46-42(28-34)40-11-5-6-12-45(40)51-46/h1-28H.
What are the key properties of 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline?
2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline has a molecular weight of 648.77 g/mol, XLogP of 13.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 134410345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).