2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine

C148H93N9O4 — CID 162166396

About 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 162166396) has the molecular formula C148H93N9O4 and a molecular weight of 2061.43 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 162166396
• Molecular Formula: C148H93N9O4
• Molecular Weight: 2061.43 g/mol
• Exact Mass: 2059.74
• IUPAC Name: 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c(c6c4oc4ccccc46)-c4ccccc4C5(C)c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
• InChI: InChI=1S/C52H29N3O2.C50H35N3O.C46H29N3O/c1-2-12-30(13-3-1)49-53-50(31-23-26-44-38(28-31)35-16-7-11-21-43(35)56-44)55-51(54-49)32-22-24-37-46(29-32)57-45-27-25-42-47(48(37)45)36-17-6-10-20-41(36)52(42)39-18-8-4-14-33(39)34-15-5-9-19-40(34)52;1-49(2)38-23-13-10-20-33(38)34-27-26-31(28-40(34)49)47-51-46(30-16-6-4-7-17-30)52-48(53-47)37-29-41-43(44-36-22-12-15-25-42(36)54-45(37)44)35-21-11-14-24-39(35)50(41,3)32-18-8-5-9-19-32;1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-26-36-40(29-32)50-39-28-27-38-41(42(36)39)35-23-13-14-24-37(35)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H;4-29H,1-3H3;1-29H
• InChIKey: ZNEOGCHHFMXHHZ-UHFFFAOYSA-N
• XLogP: 36.56
• TPSA: 168.57 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2061.43
LogP ≤ 5	36.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine (CID 162166396) is 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc5c(c6c4oc4ccccc46)-c4ccccc4C5(C)c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C53c4ccccc4-c4ccccc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc5c(c34)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.

What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?

The InChIKey is ZNEOGCHHFMXHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O2.C50H35N3O.C46H29N3O/c1-2-12-30(13-3-1)49-53-50(31-23-26-44-38(28-31)35-16-7-11-21-43(35)56-44)55-51(54-49)32-22-24-37-46(29-32)57-45-27-25-42-47(48(37)45)36-17-6-10-20-41(36)52(42)39-18-8-4-14-33(39)34-15-5-9-19-40(34)52;1-49(2)38-23-13-10-20-33(38)34-27-26-31(28-40(34)49)47-51-46(30-16-6-4-7-17-30)52-48(53-47)37-29-41-43(44-36-22-12-15-25-42(36)54-45(37)44)35-21-11-14-24-39(35)50(41,3)32-18-8-5-9-19-32;1-5-15-30(16-6-1)43-47-44(31-17-7-2-8-18-31)49-45(48-43)32-25-26-36-40(29-32)50-39-28-27-38-41(42(36)39)35-23-13-14-24-37(35)46(38,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-29H;4-29H,1-3H3;1-29H.

What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine?

2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2061.43 g/mol, XLogP of 36.56, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-4-phenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(14-methyl-14-phenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-6-phenyl-1,3,5-triazine;2-(14,14-diphenyl-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162166396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).