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

C57H34N4O — CID 167285418

IUPAC3-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
SMILESc1ccc(C2=C(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H34N4O/c1-5-16-35(17-6-1)50-44-26-15-24-37-29-31-46-54(51(37)44)53-45(52(50)36-18-7-2-8-19-36)32-41(40-28-30-43-42-25-13-14-27-48(42)62-49(43)34-40)33-47(53)61(46)57-59-55(38-20-9-3-10-21-38)58-56(60-57)39-22-11-4-12-23-39/h1-34H
InChIKeyDZDXCNFUZNYSHN-UHFFFAOYSA-N
MW790.93 g/mol
LogP14.34
Rot. Bonds6

About 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

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 (PubChem CID 167285418) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID167285418
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name3-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
SMILESc1ccc(C2=C(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C57H34N4O/c1-5-16-35(17-6-1)50-44-26-15-24-37-29-31-46-54(51(37)44)53-45(52(50)36-18-7-2-8-19-36)32-41(40-28-30-43-42-25-13-14-27-48(42)62-49(43)34-40)33-47(53)61(46)57-59-55(38-20-9-3-10-21-38)58-56(60-57)39-22-11-4-12-23-39/h1-34H
InChIKeyDZDXCNFUZNYSHN-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 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 with MolForge

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Related Compounds

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
6-(4-naphtho[2,3-b][1]benzofuran-3-ylquinazolin-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 167285248
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
7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphtho[2,1-b][1]benzofuran-10-ylbenzo[c]carbazole
CID 142571239
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
12-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916102
18-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-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 167285164
9-[4-(9-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358250
2-dibenzofuran-3-yl-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541281
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,17-diphenyl-9-oxa-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 155335832
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3ccccc3)c3cc(-c4ccc5c(c4)oc4ccccc45)cc4c3c3c5c2cccc5ccc3n4-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is DZDXCNFUZNYSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-5-16-35(17-6-1)50-44-26-15-24-37-29-31-46-54(51(37)44)53-45(52(50)36-18-7-2-8-19-36)32-41(40-28-30-43-42-25-13-14-27-48(42)62-49(43)34-40)33-47(53)61(46)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 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?
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 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 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 is sourced from PubChem (CID 167285418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).