6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

C57H34N4O — CID 167285150

IUPAC6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
InChIInChI=1S/C57H34N4O/c1-5-16-35(17-6-1)49-42-25-13-24-37-30-33-46-54(51(37)42)53-43(50(49)36-18-7-2-8-19-36)26-14-28-45(53)61(46)40-31-32-41-48(34-40)62-47-29-15-27-44(52(41)47)57-59-55(38-20-9-3-10-21-38)58-56(60-57)39-22-11-4-12-23-39/h1-34H
InChIKeyVEYVSTIFHOJUPF-UHFFFAOYSA-N
MW790.93 g/mol
LogP14.34
Rot. Bonds6

About 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene

6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (PubChem CID 167285150) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.

Molecular Properties

Compound Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
PubChem CID167285150
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1
InChIInChI=1S/C57H34N4O/c1-5-16-35(17-6-1)49-42-25-13-24-37-30-33-46-54(51(37)42)53-43(50(49)36-18-7-2-8-19-36)26-14-28-45(53)61(46)40-31-32-41-48(34-40)62-47-29-15-27-44(52(41)47)57-59-55(38-20-9-3-10-21-38)58-56(60-57)39-22-11-4-12-23-39/h1-34H
InChIKeyVEYVSTIFHOJUPF-UHFFFAOYSA-N
XLogP14.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.93
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene with MolForge

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Related Compounds

9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 164845453
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804
9-[9-(4-chrysen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 176817892
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285152
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 146333965
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-phenylbenzo[c]carbazole
CID 146491044
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
9-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146334377
3-dibenzofuran-3-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene
CID 167285418

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The IUPAC name of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene (CID 167285150) is 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene.
What is the SMILES notation for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The canonical SMILES for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is c1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2ccc3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1.
What is the InChIKey of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
The InChIKey is VEYVSTIFHOJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-5-16-35(17-6-1)49-42-25-13-24-37-30-33-46-54(51(37)42)53-43(50(49)36-18-7-2-8-19-36)26-14-28-45(53)61(46)40-31-32-41-48(34-40)62-47-29-15-27-44(52(41)47)57-59-55(38-20-9-3-10-21-38)58-56(60-57)39-22-11-4-12-23-39/h1-34H.
What are the key properties of 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene?
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene has a molecular weight of 790.93 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13,18-nonaene is sourced from PubChem (CID 167285150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).