2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine

C51H29N3O2 — CID 166845207

IUPAC2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cc5ccc6ccccc6c5c5oc6ccccc6c45)c4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-14-31(15-3-1)49-52-50(54-51(53-49)40-22-12-21-38-37-19-8-10-23-43(37)55-47(38)40)34-27-32-16-5-6-17-35(32)41(29-34)42-28-33-26-25-30-13-4-7-18-36(30)45(33)48-46(42)39-20-9-11-24-44(39)56-48/h1-29H
InChIKeyLNEPCZLZHOLAOK-UHFFFAOYSA-N
MW715.81 g/mol
LogP13.80
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine (PubChem CID 166845207) has the molecular formula C51H29N3O2 and a molecular weight of 715.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
PubChem CID166845207
Molecular FormulaC51H29N3O2
Molecular Weight715.81 g/mol
Exact Mass715.23
IUPAC Name2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cc5ccc6ccccc6c5c5oc6ccccc6c45)c4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O2/c1-2-14-31(15-3-1)49-52-50(54-51(53-49)40-22-12-21-38-37-19-8-10-23-43(37)55-47(38)40)34-27-32-16-5-6-17-35(32)41(29-34)42-28-33-26-25-30-13-4-7-18-36(30)45(33)48-46(42)39-20-9-11-24-44(39)56-48/h1-29H
InChIKeyLNEPCZLZHOLAOK-UHFFFAOYSA-N
XLogP13.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.81
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-13-yl)-6-phenyl-1,3,5-triazine
CID 163898297
2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166741750
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166741746
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[1,2-b][1]benzofuran-6-yl)naphthalen-1-yl]-1,3,5-triazine
CID 174326022
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155763992
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
2-dibenzofuran-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481415
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853832
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine (CID 166845207) is 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4cc5ccc6ccccc6c5c5oc6ccccc6c45)c4ccccc4c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is LNEPCZLZHOLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2/c1-2-14-31(15-3-1)49-52-50(54-51(53-49)40-22-12-21-38-37-19-8-10-23-43(37)55-47(38)40)34-27-32-16-5-6-17-35(32)41(29-34)42-28-33-26-25-30-13-4-7-18-36(30)45(33)48-46(42)39-20-9-11-24-44(39)56-48/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 715.81 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166845207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).