2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline

C50H30N4O — CID 176785300

IUPAC2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C50H30N4O/c1-3-11-31(12-4-1)46-47(32-13-5-2-6-14-32)54-44-30-36(25-28-43(44)53-46)35-15-9-16-37(29-35)41-26-23-33-21-22-34-24-27-42(52-49(34)48(33)51-41)40-19-10-18-39-38-17-7-8-20-45(38)55-50(39)40/h1-30H
InChIKeyLTIFCQKGGGQVON-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.96
Rot. Bonds5

About 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline

2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline (PubChem CID 176785300) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
PubChem CID176785300
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C50H30N4O/c1-3-11-31(12-4-1)46-47(32-13-5-2-6-14-32)54-44-30-36(25-28-43(44)53-46)35-15-9-16-37(29-35)41-26-23-33-21-22-34-24-27-42(52-49(34)48(33)51-41)40-19-10-18-39-38-17-7-8-20-45(38)55-50(39)40/h1-30H
InChIKeyLTIFCQKGGGQVON-UHFFFAOYSA-N
XLogP12.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-dibenzofuran-4-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90049811
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
14-[3-[7-(9-phenyl-1,10-phenanthrolin-2-yl)phenanthren-3-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231339
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
11-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 147846256
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline (CID 176785300) is 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline is c1ccc(-c2nc3ccc(-c4cccc(-c5ccc6ccc7ccc(-c8cccc9c8oc8ccccc89)nc7c6n5)c4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline?
The InChIKey is LTIFCQKGGGQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-11-31(12-4-1)46-47(32-13-5-2-6-14-32)54-44-30-36(25-28-43(44)53-46)35-15-9-16-37(29-35)41-26-23-33-21-22-34-24-27-42(52-49(34)48(33)51-41)40-19-10-18-39-38-17-7-8-20-45(38)55-50(39)40/h1-30H.
What are the key properties of 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline?
2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline has a molecular weight of 702.82 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 176785300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).