2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C159H99N9O4 — CID 164988357

About 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164988357) has the molecular formula C159H99N9O4 and a molecular weight of 2199.60 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 164988357
• Molecular Formula: C159H99N9O4
• Molecular Weight: 2199.60 g/mol
• Exact Mass: 2197.78
• IUPAC Name: 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c1c1ccccc1c1c2ccc2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc21.CC1(C)c2ccccc2-c2cc3ccc4ccc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c4c3cc21.c1ccc(-c2cccc(-c3nc(-c4ccc5c(ccc6ccc7cc8oc9ccccc9c8cc7c65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1
• InChI: InChI=1S/2C54H35N3O.C51H29N3O2/c1-54(2)45-19-8-6-16-40(45)44-30-36-25-23-33-22-24-35-29-38(26-27-39(35)49(33)43(36)31-46(44)54)52-55-51(37-15-10-14-34(28-37)32-12-4-3-5-13-32)56-53(57-52)42-18-11-21-48-50(42)41-17-7-9-20-47(41)58-48;1-54(2)44-23-10-8-20-40(44)49-42-29-26-34-31-36(27-28-37(34)47(42)38-18-6-7-19-39(38)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;1-2-10-30(11-3-1)32-12-8-13-35(26-32)49-52-50(54-51(53-49)40-16-9-19-45-48(40)39-15-5-7-18-44(39)55-45)36-24-25-37-33(27-36)22-20-31-21-23-34-28-46-42(29-41(34)47(31)37)38-14-4-6-17-43(38)56-46/h2*3-31H,1-2H3;1-29H
• InChIKey: GMLIGICDVJVZKQ-UHFFFAOYSA-N
• XLogP: 42.21
• TPSA: 168.57 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2199.60
LogP ≤ 5	42.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 164988357) is 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1c1ccccc1c1c2ccc2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc21.CC1(C)c2ccccc2-c2cc3ccc4ccc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc8oc9ccccc9c78)n6)ccc5c4c3cc21.c1ccc(-c2cccc(-c3nc(-c4ccc5c(ccc6ccc7cc8oc9ccccc9c8cc7c65)c4)nc(-c4cccc5oc6ccccc6c45)n3)c2)cc1.

What is the InChIKey of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is GMLIGICDVJVZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H35N3O.C51H29N3O2/c1-54(2)45-19-8-6-16-40(45)44-30-36-25-23-33-22-24-35-29-38(26-27-39(35)49(33)43(36)31-46(44)54)52-55-51(37-15-10-14-34(28-37)32-12-4-3-5-13-32)56-53(57-52)42-18-11-21-48-50(42)41-17-7-9-20-47(41)58-48;1-54(2)44-23-10-8-20-40(44)49-42-29-26-34-31-36(27-28-37(34)47(42)38-18-6-7-19-39(38)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;1-2-10-30(11-3-1)32-12-8-13-35(26-32)49-52-50(54-51(53-49)40-16-9-19-45-48(40)39-15-5-7-18-44(39)55-45)36-24-25-37-33(27-36)22-20-31-21-23-34-28-46-42(29-41(34)47(31)37)38-14-4-6-17-43(38)56-46/h2*3-31H,1-2H3;1-29H.

What are the key properties of 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine?

2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2199.60 g/mol, XLogP of 42.21, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-1-yl-4-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(17-oxahexacyclo[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-dodecaen-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164988357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).