12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole

C159H98F3N15O — CID 159627797

About 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole

12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole (PubChem CID 159627797) has the molecular formula C159H98F3N15O and a molecular weight of 2291.63 g/mol. Its IUPAC name is 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole
• PubChem CID: 159627797
• Molecular Formula: C159H98F3N15O
• Molecular Weight: 2291.63 g/mol
• Exact Mass: 2289.80
• IUPAC Name: 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole
• SMILES: FC(F)(F)c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1.N#Cc1ccc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c2c1C=CC3.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccc4ccccc4c35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6n(-c6ccccc6)c5c43)n2)cc1
• InChI: InChI=1S/C60H37N9.C38H23N3O.C32H20N2.C29H18F3N/c1-6-20-38(21-7-1)55-61-56(39-22-8-2-9-23-39)64-59(63-55)68-49-32-18-16-30-43(49)45-34-36-47-48-37-35-46-44-31-17-19-33-50(44)69(54(46)52(48)67(51(47)53(45)68)42-28-14-5-15-29-42)60-65-57(40-24-10-3-11-25-40)62-58(66-60)41-26-12-4-13-27-41;1-3-12-25(13-4-1)29-23-30(26-14-5-2-6-15-26)40-38(39-29)41-31-18-10-9-17-28(31)35-32(41)20-22-34-37(35)36-27-16-8-7-11-24(27)19-21-33(36)42-34;33-20-23-13-12-22-16-19-25(29-9-5-8-26(23)32(22)29)21-14-17-24(18-15-21)34-30-10-3-1-6-27(30)28-7-2-4-11-31(28)34;30-29(31,32)21-14-17-24-20(18-21)6-5-9-23(24)19-12-15-22(16-13-19)33-27-10-3-1-7-25(27)26-8-2-4-11-28(26)33/h1-37H;1-23H;1-8,10-19H,9H2;1-18H
• InChIKey: MOSNDMAAFSRVAF-UHFFFAOYSA-N
• XLogP: 40.64
• TPSA: 169.63 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2291.63
LogP ≤ 5	40.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole?

The IUPAC name of 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole (CID 159627797) is 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole.

What is the SMILES notation for 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole?

The canonical SMILES for 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole is FC(F)(F)c1ccc2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc2c1.N#Cc1ccc2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3c2c1C=CC3.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c(ccc43)oc3ccc4ccccc4c35)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6n(-c6ccccc6)c5c43)n2)cc1.

What is the InChIKey of 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole?

The InChIKey is MOSNDMAAFSRVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N9.C38H23N3O.C32H20N2.C29H18F3N/c1-6-20-38(21-7-1)55-61-56(39-22-8-2-9-23-39)64-59(63-55)68-49-32-18-16-30-43(49)45-34-36-47-48-37-35-46-44-31-17-19-33-50(44)69(54(46)52(48)67(51(47)53(45)68)42-28-14-5-15-29-42)60-65-57(40-24-10-3-11-25-40)62-58(66-60)41-26-12-4-13-27-41;1-3-12-25(13-4-1)29-23-30(26-14-5-2-6-15-26)40-38(39-29)41-31-18-10-9-17-28(31)35-32(41)20-22-34-37(35)36-27-16-8-7-11-24(27)19-21-33(36)42-34;33-20-23-13-12-22-16-19-25(29-9-5-8-26(23)32(22)29)21-14-17-24(18-15-21)34-30-10-3-1-6-27(30)28-7-2-4-11-31(28)34;30-29(31,32)21-14-17-24-20(18-21)6-5-9-23(24)19-12-15-22(16-13-19)33-27-10-3-1-7-25(27)26-8-2-4-11-28(26)33/h1-37H;1-23H;1-8,10-19H,9H2;1-18H.

What are the key properties of 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole?

12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole has a molecular weight of 2291.63 g/mol, XLogP of 40.64, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 12,18-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;6-(4-carbazol-9-ylphenyl)-7H-phenalene-1-carbonitrile;9-(4,6-diphenylpyrimidin-2-yl)-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9-[4-[6-(trifluoromethyl)naphthalen-1-yl]phenyl]carbazole is sourced from PubChem (CID 159627797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).