18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

C176H127N7O — CID 159435292

About 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (PubChem CID 159435292) has the molecular formula C176H127N7O and a molecular weight of 2356.00 g/mol. Its IUPAC name is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• PubChem CID: 159435292
• Molecular Formula: C176H127N7O
• Molecular Weight: 2356.00 g/mol
• Exact Mass: 2354.01
• IUPAC Name: 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
• SMILES: CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccc2c4c(cccc14)-c1ccccc1-2)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccccc1)C(C)(C)c1ccccc1-3
• InChI: InChI=1S/C52H37N.C46H33N.C42H28N4O.C36H29N/c1-51(2)41-21-10-7-16-38(41)45-46-39-17-8-11-22-42(39)52(3,4)49(46)50-47(48(45)51)40-18-9-12-23-43(40)53(50)31-26-24-30(25-27-31)32-28-29-37-34-15-6-5-14-33(34)36-20-13-19-35(32)44(36)37;1-45(2)34-21-10-7-16-30(34)39-40-31-17-8-11-22-35(31)46(3,4)43(40)44-41(42(39)45)33-18-9-12-23-36(33)47(44)37-25-24-29-27-15-6-5-14-26(27)28-19-13-20-32(37)38(28)29;1-42(2)30-22-12-9-19-27(30)33-34-29-21-11-14-24-32(29)47-38(34)37-35(36(33)42)28-20-10-13-23-31(28)46(37)41-44-39(25-15-5-3-6-16-25)43-40(45-41)26-17-7-4-8-18-26;1-35(2)26-19-11-8-16-23(26)29-30-24-17-9-12-20-27(24)36(3,4)33(30)34-31(32(29)35)25-18-10-13-21-28(25)37(34)22-14-6-5-7-15-22/h5-29H,1-4H3;5-25H,1-4H3;3-24H,1-2H3;5-21H,1-4H3
• InChIKey: LRMRTDYDPMLVTR-UHFFFAOYSA-N
• XLogP: 45.97
• TPSA: 71.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2356.00
LogP ≤ 5	45.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene (CID 159435292) is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene.

What is the SMILES notation for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The canonical SMILES for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c1c1oc3ccccc3c21.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccc(-c2ccc4c5c(cccc25)-c2ccccc2-4)cc1)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccc2c4c(cccc14)-c1ccccc1-2)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2c3c(c4c(c21)c1ccccc1n4-c1ccccc1)C(C)(C)c1ccccc1-3.

What is the InChIKey of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

The InChIKey is LRMRTDYDPMLVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N.C46H33N.C42H28N4O.C36H29N/c1-51(2)41-21-10-7-16-38(41)45-46-39-17-8-11-22-42(39)52(3,4)49(46)50-47(48(45)51)40-18-9-12-23-43(40)53(50)31-26-24-30(25-27-31)32-28-29-37-34-15-6-5-14-33(34)36-20-13-19-35(32)44(36)37;1-45(2)34-21-10-7-16-30(34)39-40-31-17-8-11-22-35(31)46(3,4)43(40)44-41(42(39)45)33-18-9-12-23-36(33)47(44)37-25-24-29-27-15-6-5-14-26(27)28-19-13-20-32(37)38(28)29;1-42(2)30-22-12-9-19-27(30)33-34-29-21-11-14-24-32(29)47-38(34)37-35(36(33)42)28-20-10-13-23-31(28)46(37)41-44-39(25-15-5-3-6-16-25)43-40(45-41)26-17-7-4-8-18-26;1-35(2)26-19-11-8-16-23(26)29-30-24-17-9-12-20-27(24)36(3,4)33(30)34-31(32(29)35)25-18-10-13-21-28(25)37(34)22-14-6-5-7-15-22/h5-29H,1-4H3;5-25H,1-4H3;3-24H,1-2H3;5-21H,1-4H3.

What are the key properties of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene?

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene has a molecular weight of 2356.00 g/mol, XLogP of 45.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-21-oxa-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-(4-fluoranthen-3-ylphenyl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;18-fluoranthen-3-yl-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene;9,9,21,21-tetramethyl-18-phenyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene is sourced from PubChem (CID 159435292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).