2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C215H135N15 — CID 159919975

About 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 159919975) has the molecular formula C215H135N15 and a molecular weight of 2928.55 g/mol. Its IUPAC name is 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• PubChem CID: 159919975
• Molecular Formula: C215H135N15
• Molecular Weight: 2928.55 g/mol
• Exact Mass: 2926.10
• IUPAC Name: 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)n2)cc1
• InChI: InChI=1S/C49H31N3.3C43H27N3.C37H23N3/c1-3-13-35(14-4-1)47-50-48(36-15-5-2-6-16-36)52-49(51-47)37-29-25-33(26-30-37)32-23-27-34(28-24-32)44-31-45-40-19-8-7-17-38(40)39-18-9-11-21-42(39)46(45)43-22-12-10-20-41(43)44;1-3-15-28(16-4-1)41-44-42(29-17-5-2-6-18-29)46-43(45-41)37-26-14-11-23-34(37)38-27-39-32-21-8-7-19-30(32)31-20-9-12-24-35(31)40(39)36-25-13-10-22-33(36)38;1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)31-19-13-18-30(26-31)38-27-39-34-22-8-7-20-32(34)33-21-9-11-24-36(33)40(39)37-25-12-10-23-35(37)38;1-3-13-29(14-4-1)41-44-42(30-15-5-2-6-16-30)46-43(45-41)31-25-23-28(24-26-31)38-27-39-34-19-8-7-17-32(34)33-18-9-11-21-36(33)40(39)37-22-12-10-20-35(37)38;1-3-13-24(14-4-1)35-38-36(25-15-5-2-6-16-25)40-37(39-35)33-23-32-28-19-8-7-17-26(28)27-18-9-11-21-30(27)34(32)31-22-12-10-20-29(31)33/h1-31H;3*1-27H;1-23H
• InChIKey: NYGSKYUDEFTJJM-UHFFFAOYSA-N
• XLogP: 55.76
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2928.55
LogP ≤ 5	55.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The IUPAC name of 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 159919975) is 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

What is the SMILES notation for 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The canonical SMILES for 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c7ccccc7c7ccccc7c6c6ccccc56)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc4c5ccccc5c5ccccc5c4c4ccccc34)n2)cc1.

What is the InChIKey of 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

The InChIKey is NYGSKYUDEFTJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.3C43H27N3.C37H23N3/c1-3-13-35(14-4-1)47-50-48(36-15-5-2-6-16-36)52-49(51-47)37-29-25-33(26-30-37)32-23-27-34(28-24-32)44-31-45-40-19-8-7-17-38(40)39-18-9-11-21-42(39)46(45)43-22-12-10-20-41(43)44;1-3-15-28(16-4-1)41-44-42(29-17-5-2-6-18-29)46-43(45-41)37-26-14-11-23-34(37)38-27-39-32-21-8-7-19-30(32)31-20-9-12-24-35(31)40(39)36-25-13-10-22-33(36)38;1-3-14-28(15-4-1)41-44-42(29-16-5-2-6-17-29)46-43(45-41)31-19-13-18-30(26-31)38-27-39-34-22-8-7-20-32(34)33-21-9-11-24-36(33)40(39)37-25-12-10-23-35(37)38;1-3-13-29(14-4-1)41-44-42(30-15-5-2-6-16-30)46-43(45-41)31-25-23-28(24-26-31)38-27-39-34-19-8-7-17-32(34)33-18-9-11-21-36(33)40(39)37-22-12-10-20-35(37)38;1-3-13-24(14-4-1)35-38-36(25-15-5-2-6-16-25)40-37(39-35)33-23-32-28-19-8-7-17-26(28)27-18-9-11-21-30(27)34(32)31-22-12-10-20-29(31)33/h1-31H;3*1-27H;1-23H.

What are the key properties of 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?

2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2928.55 g/mol, XLogP of 55.76, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-4,6-diphenyl-1,3,5-triazine;2-[2-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 159919975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).