5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

C52H30N4O2 — CID 166009736

IUPAC5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccc6c(-c7ccccc7)nc7ccccc7c6c5c4c3)n2)cc1
InChIInChI=1S/C52H30N4O2/c1-3-13-31(14-4-1)35-17-7-8-19-38(35)52-55-50(54-51(56-52)34-23-25-37-36-18-10-12-22-43(36)58-46(37)30-34)33-24-27-44-41(29-33)48-45(57-44)28-26-40-47(48)39-20-9-11-21-42(39)53-49(40)32-15-5-2-6-16-32/h1-30H
InChIKeyNRMCMDREXUQRJT-UHFFFAOYSA-N
MW742.84 g/mol
LogP13.71
Rot. Bonds5

About 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene

5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (PubChem CID 166009736) has the molecular formula C52H30N4O2 and a molecular weight of 742.84 g/mol. Its IUPAC name is 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.

Molecular Properties

Compound Name5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
PubChem CID166009736
Molecular FormulaC52H30N4O2
Molecular Weight742.84 g/mol
Exact Mass742.24
IUPAC Name5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccc6c(-c7ccccc7)nc7ccccc7c6c5c4c3)n2)cc1
InChIInChI=1S/C52H30N4O2/c1-3-13-31(14-4-1)35-17-7-8-19-38(35)52-55-50(54-51(56-52)34-23-25-37-36-18-10-12-22-43(36)58-46(37)30-34)33-24-27-44-41(29-33)48-45(57-44)28-26-40-47(48)39-20-9-11-21-42(39)53-49(40)32-15-5-2-6-16-32/h1-30H
InChIKeyNRMCMDREXUQRJT-UHFFFAOYSA-N
XLogP13.71
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.84
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene with MolForge

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Related Compounds

5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 163953072
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134
5-(4-dibenzothiophen-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009951
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
14-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122506
5-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 166009844
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942380
2-(2-dibenzofuran-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850267
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624

Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The IUPAC name of 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene (CID 166009736) is 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene.
What is the SMILES notation for 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The canonical SMILES for 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is c1ccc(-c2ccccc2-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4oc5ccc6c(-c7ccccc7)nc7ccccc7c6c5c4c3)n2)cc1.
What is the InChIKey of 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
The InChIKey is NRMCMDREXUQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O2/c1-3-13-31(14-4-1)35-17-7-8-19-38(35)52-55-50(54-51(56-52)34-23-25-37-36-18-10-12-22-43(36)58-46(37)30-34)33-24-27-44-41(29-33)48-45(57-44)28-26-40-47(48)39-20-9-11-21-42(39)53-49(40)32-15-5-2-6-16-32/h1-30H.
What are the key properties of 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene?
5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene has a molecular weight of 742.84 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-3-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene is sourced from PubChem (CID 166009736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).