21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C59H36N4O — CID 142570754

IUPAC21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5c6ccccc6c6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-15-37(16-4-1)39-29-33-41(34-30-39)57-60-58(42-35-31-40(32-36-42)38-17-5-2-6-18-38)62-59(61-57)63-55-48(46-24-14-28-52-53(46)49-23-11-12-27-51(49)64-52)25-13-26-50(55)54-45-21-9-7-19-43(45)44-20-8-10-22-47(44)56(54)63/h1-36H
InChIKeyXADJKRRUNGNMMJ-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.51
Rot. Bonds6

About 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 142570754) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID142570754
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5c6ccccc6c6ccccc6c54)n3)cc2)cc1
InChIInChI=1S/C59H36N4O/c1-3-15-37(16-4-1)39-29-33-41(34-30-39)57-60-58(42-35-31-40(32-36-42)38-17-5-2-6-18-38)62-59(61-57)63-55-48(46-24-14-28-52-53(46)49-23-11-12-27-51(49)64-52)25-13-26-50(55)54-45-21-9-7-19-43(45)44-20-8-10-22-47(44)56(54)63/h1-36H
InChIKeyXADJKRRUNGNMMJ-UHFFFAOYSA-N
XLogP15.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

19-dibenzofuran-1-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571311
19-dibenzofuran-3-yl-21-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571840
19-dibenzofuran-2-yl-21-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
CID 142570570
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-4-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;ethene;propane
CID 142569622
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
8-dibenzofuran-1-yl-7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142571739
1-phenyl-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164932839

Frequently Asked Questions

What is the IUPAC name of 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 142570754) is 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5c(-c6cccc7oc8ccccc8c67)cccc5c5c6ccccc6c6ccccc6c54)n3)cc2)cc1.
What is the InChIKey of 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is XADJKRRUNGNMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-15-37(16-4-1)39-29-33-41(34-30-39)57-60-58(42-35-31-40(32-36-42)38-17-5-2-6-18-38)62-59(61-57)63-55-48(46-24-14-28-52-53(46)49-23-11-12-27-51(49)64-52)25-13-26-50(55)54-45-21-9-7-19-43(45)44-20-8-10-22-47(44)56(54)63/h1-36H.
What are the key properties of 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 816.96 g/mol, XLogP of 15.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 21-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-19-dibenzofuran-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 142570754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).