17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene

C151H116N12 — CID 163745395

About 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene

17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene (PubChem CID 163745395) has the molecular formula C151H116N12 and a molecular weight of 2098.67 g/mol. Its IUPAC name is 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene.

Molecular Properties

• Compound Name: 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene
• PubChem CID: 163745395
• Molecular Formula: C151H116N12
• Molecular Weight: 2098.67 g/mol
• Exact Mass: 2096.94
• IUPAC Name: 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene
• SMILES: CC1(C)c2cc3c(cc2-c2c(ccc4ccccc24)C1(C)C)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.CC1(C)c2ccc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2-c2ccc3ccccc3c2C1(C)C.CC1(C)c2ccccc2-c2ccc3c(c2C1(C)C)c1c2ccccc2ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C53H40N4.2C49H38N4/c1-52(2)43-29-27-33-17-11-12-22-36(33)48(43)42-31-41-39-25-15-16-26-45(39)57(47(41)32-44(42)53(52,3)4)46-30-28-40(37-23-13-14-24-38(37)46)51-55-49(34-18-7-5-8-19-34)54-50(56-51)35-20-9-6-10-21-35;1-48(2)40-29-28-38-37-24-13-14-25-41(37)53(44(38)42(40)39-27-26-31-16-11-12-23-36(31)43(39)49(48,3)4)35-22-15-21-34(30-35)47-51-45(32-17-7-5-8-18-32)50-46(52-47)33-19-9-6-10-20-33;1-48(2)39-22-14-13-21-37(39)38-28-30-41-43(44(38)49(48,3)4)42-36-20-12-11-15-31(36)25-29-40(42)53(41)35-26-23-34(24-27-35)47-51-45(32-16-7-5-8-17-32)50-46(52-47)33-18-9-6-10-19-33/h5-32H,1-4H3;2*5-30H,1-4H3
• InChIKey: LLKRALRYDRPHHQ-UHFFFAOYSA-N
• XLogP: 38.23
• TPSA: 130.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2098.67
LogP ≤ 5	38.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene?

The IUPAC name of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene (CID 163745395) is 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene.

What is the SMILES notation for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene?

The canonical SMILES for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene is CC1(C)c2cc3c(cc2-c2c(ccc4ccccc24)C1(C)C)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12.CC1(C)c2ccc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3c2-c2ccc3ccccc3c2C1(C)C.CC1(C)c2ccccc2-c2ccc3c(c2C1(C)C)c1c2ccccc2ccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene?

The InChIKey is LLKRALRYDRPHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40N4.2C49H38N4/c1-52(2)43-29-27-33-17-11-12-22-36(33)48(43)42-31-41-39-25-15-16-26-45(39)57(47(41)32-44(42)53(52,3)4)46-30-28-40(37-23-13-14-24-38(37)46)51-55-49(34-18-7-5-8-19-34)54-50(56-51)35-20-9-6-10-21-35;1-48(2)40-29-28-38-37-24-13-14-25-41(37)53(44(38)42(40)39-27-26-31-16-11-12-23-36(31)43(39)49(48,3)4)35-22-15-21-34(30-35)47-51-45(32-17-7-5-8-18-32)50-46(52-47)33-19-9-6-10-20-33;1-48(2)39-22-14-13-21-37(39)38-28-30-41-43(44(38)49(48,3)4)42-36-20-12-11-15-31(36)25-29-40(42)53(41)35-26-23-34(24-27-35)47-51-45(32-16-7-5-8-17-32)50-46(52-47)33-18-9-6-10-19-33/h5-32H,1-4H3;2*5-30H,1-4H3.

What are the key properties of 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene?

17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene has a molecular weight of 2098.67 g/mol, XLogP of 38.23, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12,12,13,13-tetramethyl-17-azahexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(14),2(11),3,5,7,9,15,18,20,22,24-undecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,3,4,4-tetramethyl-15-azahexacyclo[12.11.0.02,11.05,10.016,25.019,24]pentacosa-1(14),2(11),5,7,9,12,16(25),17,19,21,23-undecaene;24-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12,13,13-tetramethyl-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18,20,22-undecaene is sourced from PubChem (CID 163745395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).