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

C57H34N4O — CID 167285152

IUPAC6-[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
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H34N4O/c1-5-17-35(18-6-1)49-42-27-15-25-37-31-32-47-53(51(37)42)52-43(50(49)36-19-7-2-8-20-36)28-16-29-46(52)61(47)40-33-44-41-26-13-14-30-48(41)62-54(44)45(34-40)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39/h1-34H
InChIKeyUCSBHZIVRZYKJI-UHFFFAOYSA-N
MW790.93 g/mol
LogP14.34
Rot. Bonds6

About 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

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 (PubChem CID 167285152) has the molecular formula C57H34N4O and a molecular weight of 790.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID167285152
Molecular FormulaC57H34N4O
Molecular Weight790.93 g/mol
Exact Mass790.27
IUPAC Name6-[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
SMILESc1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C57H34N4O/c1-5-17-35(18-6-1)49-42-27-15-25-37-31-32-47-53(51(37)42)52-43(50(49)36-19-7-2-8-20-36)28-16-29-46(52)61(47)40-33-44-41-26-13-14-30-48(41)62-54(44)45(34-40)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39/h1-34H
InChIKeyUCSBHZIVRZYKJI-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-[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 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
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
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
12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-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 167347572
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
23-[1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 163466121
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
9-[3-[4-dibenzofuran-4-yl-6-[4-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283311
9-[4-[2-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170228291

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=C(c3ccccc3)c3cccc4c3c3c5c2cccc5ccc3n4-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is UCSBHZIVRZYKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N4O/c1-5-17-35(18-6-1)49-42-27-15-25-37-31-32-47-53(51(37)42)52-43(50(49)36-19-7-2-8-20-36)28-16-29-46(52)61(47)40-33-44-41-26-13-14-30-48(41)62-54(44)45(34-40)57-59-55(38-21-9-3-10-22-38)58-56(60-57)39-23-11-4-12-24-39/h1-34H.
What are the key properties of 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?
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 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-[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 is sourced from PubChem (CID 167285152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).