5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline

C50H30N4O — CID 154949982

IUPAC5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5ncccc45)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N4O/c1-2-12-31(13-3-1)48-52-49(33-23-24-43-42-18-8-9-22-46(42)55-47(43)30-33)54-50(53-48)36-27-34(38-19-10-21-45-41(38)20-11-25-51-45)26-35(28-36)44-29-32-14-4-5-15-37(32)39-16-6-7-17-40(39)44/h1-30H
InChIKeyGTCOQNSHDYGBJN-UHFFFAOYSA-N
MW702.82 g/mol
LogP12.96
Rot. Bonds5

About 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline

5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline (PubChem CID 154949982) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
PubChem CID154949982
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5ncccc45)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N4O/c1-2-12-31(13-3-1)48-52-49(33-23-24-43-42-18-8-9-22-46(42)55-47(43)30-33)54-50(53-48)36-27-34(38-19-10-21-45-41(38)20-11-25-51-45)26-35(28-36)44-29-32-14-4-5-15-37(32)39-16-6-7-17-40(39)44/h1-30H
InChIKeyGTCOQNSHDYGBJN-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'}

Analyze 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline with MolForge

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Related Compounds

5-[4-[3,5-di(phenanthren-9-yl)phenyl]-6-quinolin-5-yl-1,3,5-triazin-2-yl]quinoline
CID 146926587
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267
3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622546
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502716
5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline
CID 174288323
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
CID 157458923

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline?
The IUPAC name of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline (CID 154949982) is 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline.
What is the SMILES notation for 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline?
The canonical SMILES for 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline is c1ccc(-c2nc(-c3cc(-c4cccc5ncccc45)cc(-c4cc5ccccc5c5ccccc45)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline?
The InChIKey is GTCOQNSHDYGBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-2-12-31(13-3-1)48-52-49(33-23-24-43-42-18-8-9-22-46(42)55-47(43)30-33)54-50(53-48)36-27-34(38-19-10-21-45-41(38)20-11-25-51-45)26-35(28-36)44-29-32-14-4-5-15-37(32)39-16-6-7-17-40(39)44/h1-30H.
What are the key properties of 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline?
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline 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 5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline is sourced from PubChem (CID 154949982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).