2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine

C156H101N9O3 — CID 164973069

About 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine (PubChem CID 164973069) has the molecular formula C156H101N9O3 and a molecular weight of 2149.58 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine
• PubChem CID: 164973069
• Molecular Formula: C156H101N9O3
• Molecular Weight: 2149.58 g/mol
• Exact Mass: 2147.80
• IUPAC Name: 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc7oc8ccccc8c67)n5)ccc4c3c21.CC1(C)c2ccccc2-c2cc3c(ccc4ccc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c43)cc21.CC1(C)c2ccccc2-c2ccc3c(ccc4ccc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c43)c21
• InChI: InChI=1S/2C54H35N3O.C48H31N3O/c1-54(2)45-19-8-6-16-39(45)41-29-28-40-42(50(41)54)27-24-33-22-23-35-31-37(25-26-38(35)48(33)40)52-55-51(36-15-10-14-34(30-36)32-12-4-3-5-13-32)56-53(57-52)44-18-11-21-47-49(44)43-17-7-9-20-46(43)58-47;1-54(2)43-19-8-6-16-40(43)50-44(54)29-27-34-23-22-33-24-25-36-31-38(26-28-39(36)47(33)48(34)50)52-55-51(37-15-10-14-35(30-37)32-12-4-3-5-13-32)56-53(57-52)42-18-11-21-46-49(42)41-17-7-9-20-45(41)58-46;1-48(2)39-16-8-6-13-34(39)38-27-37-31(26-40(38)48)22-20-28-19-21-30-25-32(23-24-33(30)43(28)37)46-49-45(29-11-4-3-5-12-29)50-47(51-46)36-15-10-18-42-44(36)35-14-7-9-17-41(35)52-42/h2*3-31H,1-2H3;3-27H,1-2H3
• InChIKey: DJWOWUOMZQRQFY-UHFFFAOYSA-N
• XLogP: 40.95
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2149.58
LogP ≤ 5	40.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine (CID 164973069) is 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1ccc3ccc4cc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc7oc8ccccc8c67)n5)ccc4c3c21.CC1(C)c2ccccc2-c2cc3c(ccc4ccc5cc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c43)cc21.CC1(C)c2ccccc2-c2ccc3c(ccc4ccc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c43)c21.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine?

The InChIKey is DJWOWUOMZQRQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H35N3O.C48H31N3O/c1-54(2)45-19-8-6-16-39(45)41-29-28-40-42(50(41)54)27-24-33-22-23-35-31-37(25-26-38(35)48(33)40)52-55-51(36-15-10-14-34(30-36)32-12-4-3-5-13-32)56-53(57-52)44-18-11-21-47-49(44)43-17-7-9-20-46(43)58-47;1-54(2)43-19-8-6-16-40(43)50-44(54)29-27-34-23-22-33-24-25-36-31-38(26-28-39(36)47(33)48(34)50)52-55-51(37-15-10-14-35(30-37)32-12-4-3-5-13-32)56-53(57-52)42-18-11-21-46-49(42)41-17-7-9-20-45(41)58-46;1-48(2)39-16-8-6-13-34(39)38-27-37-31(26-40(38)48)22-20-28-19-21-30-25-32(23-24-33(30)43(28)37)46-49-45(29-11-4-3-5-12-29)50-47(51-46)36-15-10-18-42-44(36)35-14-7-9-17-41(35)52-42/h2*3-31H,1-2H3;3-27H,1-2H3.

What are the key properties of 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 2149.58 g/mol, XLogP of 40.95, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(18,18-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3(8),4,6,9,12,15,17(25),19,21,23-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164973069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).