2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine

C108H70N6O2 — CID 165057000

About 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165057000) has the molecular formula C108H70N6O2 and a molecular weight of 1483.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 165057000
• Molecular Formula: C108H70N6O2
• Molecular Weight: 1483.79 g/mol
• Exact Mass: 1482.56
• IUPAC Name: 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1c1ccc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3c1c1ccccc21.CC1(C)c2ccccc2-c2c1ccc1c2ccc2ccc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3c21
• InChI: InChI=1S/2C54H35N3O/c1-54(2)44-19-8-6-16-41(44)49-40-27-24-33-22-23-35-31-37(25-26-38(35)48(33)39(40)28-29-45(49)54)52-55-51(36-15-10-14-34(30-36)32-12-4-3-5-13-32)56-53(57-52)43-18-11-21-47-50(43)42-17-7-9-20-46(42)58-47;1-54(2)44-23-10-8-20-40(44)49-39-19-7-6-18-38(39)47-37-28-27-36(31-34(37)26-29-42(47)50(49)54)52-55-51(35-17-12-16-33(30-35)32-14-4-3-5-15-32)56-53(57-52)43-22-13-25-46-48(43)41-21-9-11-24-45(41)58-46/h2*3-31H,1-2H3
• InChIKey: QOZXKBIVCWFBQX-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 103.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1483.79
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 165057000) is 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1c1ccc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3c1c1ccccc21.CC1(C)c2ccccc2-c2c1ccc1c2ccc2ccc3cc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc6oc7ccccc7c56)n4)ccc3c21.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

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

What are the key properties of 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1483.79 g/mol, XLogP of 28.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(3,3-dimethyl-21-hexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(22,22-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165057000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).