17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

C47H28N4O — CID 164757173

IUPAC17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2nc(-c3ccc4c(-c5ccccc5)c5c6ccccc6c6ccccc6n5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-14-29(15-4-1)42-35-27-26-31(28-39(35)51-38-23-11-9-19-33(38)32-18-7-8-20-34(32)44(42)51)46-48-45(30-16-5-2-6-17-30)49-47(50-46)37-22-13-25-41-43(37)36-21-10-12-24-40(36)52-41/h1-28H
InChIKeyMIAULOJIUGQZGZ-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.15
Rot. Bonds4

About 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene

17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 164757173) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID164757173
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
SMILESc1ccc(-c2nc(-c3ccc4c(-c5ccccc5)c5c6ccccc6c6ccccc6n5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-14-29(15-4-1)42-35-27-26-31(28-39(35)51-38-23-11-9-19-33(38)32-18-7-8-20-34(32)44(42)51)46-48-45(30-16-5-2-6-17-30)49-47(50-46)37-22-13-25-41-43(37)36-21-10-12-24-40(36)52-41/h1-28H
InChIKeyMIAULOJIUGQZGZ-UHFFFAOYSA-N
XLogP12.15
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

17-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757236
17-(4-dibenzofuran-1-ylquinazolin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757148
21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757229
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-dibenzofuran-1-yl-4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 139304336
1-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755

Frequently Asked Questions

What is the IUPAC name of 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene (CID 164757173) is 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is c1ccc(-c2nc(-c3ccc4c(-c5ccccc5)c5c6ccccc6c6ccccc6n5c4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is MIAULOJIUGQZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-3-14-29(15-4-1)42-35-27-26-31(28-39(35)51-38-23-11-9-19-33(38)32-18-7-8-20-34(32)44(42)51)46-48-45(30-16-5-2-6-17-30)49-47(50-46)37-22-13-25-41-43(37)36-21-10-12-24-40(36)52-41/h1-28H.
What are the key properties of 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene?
17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 664.77 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 164757173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).