3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C109H65N15O3 — CID 157434664

About 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 157434664) has the molecular formula C109H65N15O3 and a molecular weight of 1632.82 g/mol. Its IUPAC name is 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

• Compound Name: 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• PubChem CID: 157434664
• Molecular Formula: C109H65N15O3
• Molecular Weight: 1632.82 g/mol
• Exact Mass: 1631.54
• IUPAC Name: 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c(cn4)oc4c6ccccc6ncc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4nc6ccccc6nc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5nc6cc7oc8ccccc8c7cc6nc45)n3)cc2)cc1
• InChI: InChI=1S/C39H23N5O.2C35H21N5O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)38-42-37(26-12-5-2-6-13-26)43-39(44-38)29-15-9-16-31-36(29)41-32-22-30-28-14-7-8-17-34(28)45-35(30)23-33(32)40-31;1-3-9-22(10-4-1)23-15-17-25(18-16-23)34-38-33(24-11-5-2-6-12-24)39-35(40-34)30-19-27-28-20-36-29-14-8-7-13-26(29)32(28)41-31(27)21-37-30;1-3-9-22(10-4-1)23-15-17-25(18-16-23)33-38-32(24-11-5-2-6-12-24)39-34(40-33)26-19-20-27-30(21-26)41-35-31(27)36-28-13-7-8-14-29(28)37-35/h1-23H;2*1-21H
• InChIKey: BQYMVFVAKDQHNZ-UHFFFAOYSA-N
• XLogP: 26.30
• TPSA: 232.77 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.82
LogP ≤ 5	26.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The IUPAC name of 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 157434664) is 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

What is the SMILES notation for 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The canonical SMILES for 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c(cn4)oc4c6ccccc6ncc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4nc6ccccc6nc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5nc6cc7oc8ccccc8c7cc6nc45)n3)cc2)cc1.

What is the InChIKey of 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The InChIKey is BQYMVFVAKDQHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O.2C35H21N5O/c1-3-10-24(11-4-1)25-18-20-27(21-19-25)38-42-37(26-12-5-2-6-13-26)43-39(44-38)29-15-9-16-31-36(29)41-32-22-30-28-14-7-8-17-34(28)45-35(30)23-33(32)40-31;1-3-9-22(10-4-1)23-15-17-25(18-16-23)34-38-33(24-11-5-2-6-12-24)39-35(40-34)30-19-27-28-20-36-29-14-8-7-13-26(29)32(28)41-31(27)21-37-30;1-3-9-22(10-4-1)23-15-17-25(18-16-23)33-38-32(24-11-5-2-6-12-24)39-34(40-33)26-19-20-27-30(21-26)41-35-31(27)36-28-13-7-8-14-29(28)37-35/h1-23H;2*1-21H.

What are the key properties of 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 1632.82 g/mol, XLogP of 26.30, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]quinoxaline;19-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-oxa-14,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;13-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17-oxa-8,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 157434664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).