2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine

C37H21N3O — CID 166041138

IUPAC2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6ccc7nc8ccccc8nc7c6)cc5c4c3)c12
InChIInChI=1S/C37H21N3O/c1-2-9-31-30(8-1)39-32-15-12-25(21-33(32)40-31)24-13-16-34-28(19-24)29-20-26(14-17-35(29)41-34)27-7-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H
InChIKeyKQEGMFBFCBGUBW-UHFFFAOYSA-N
MW523.60 g/mol
LogP9.72
Rot. Bonds2

About 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine

2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine (PubChem CID 166041138) has the molecular formula C37H21N3O and a molecular weight of 523.60 g/mol. Its IUPAC name is 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine.

Molecular Properties

Compound Name2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
PubChem CID166041138
Molecular FormulaC37H21N3O
Molecular Weight523.60 g/mol
Exact Mass523.17
IUPAC Name2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
SMILESc1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6ccc7nc8ccccc8nc7c6)cc5c4c3)c12
InChIInChI=1S/C37H21N3O/c1-2-9-31-30(8-1)39-32-15-12-25(21-33(32)40-31)24-13-16-34-28(19-24)29-20-26(14-17-35(29)41-34)27-7-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H
InChIKeyKQEGMFBFCBGUBW-UHFFFAOYSA-N
XLogP9.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
10-(8-naphthalen-1-yldibenzofuran-1-yl)benzo[h]quinoline
CID 146301174
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
8-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)quinoline
CID 153483758
5-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;6-(4-dibenzofuran-2-ylphenyl)-2,3-diphenylquinoxaline;7-(4-dibenzofuran-2-ylphenyl)-5-phenyl-1,6-naphthyridine
CID 163858359
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
10-[3-[3-[9-(3-benzo[h]quinolin-10-ylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzo[h]quinoline
CID 118003234
10-[4-(9,10-dinaphthalen-2-yl-6-quinolin-2-ylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323778
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2-[9-[4-(2-isocyanophenyl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
CID 153277486
7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900
2-[9-[4-(1-methylbenzimidazol-2-yl)phenyl]dibenzofuran-2-yl]-1,10-phenanthroline
CID 142462530

Frequently Asked Questions

What is the IUPAC name of 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine?
The IUPAC name of 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine (CID 166041138) is 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine.
What is the SMILES notation for 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine?
The canonical SMILES for 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine is c1cnc2c(c1)ccc1cccc(-c3ccc4oc5ccc(-c6ccc7nc8ccccc8nc7c6)cc5c4c3)c12.
What is the InChIKey of 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine?
The InChIKey is KQEGMFBFCBGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3O/c1-2-9-31-30(8-1)39-32-15-12-25(21-33(32)40-31)24-13-16-34-28(19-24)29-20-26(14-17-35(29)41-34)27-7-3-5-22-10-11-23-6-4-18-38-37(23)36(22)27/h1-21H.
What are the key properties of 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine?
2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine has a molecular weight of 523.60 g/mol, XLogP of 9.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine is sourced from PubChem (CID 166041138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).