5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

C67H43N5 — CID 142293065

About 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene

5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (PubChem CID 142293065) has the molecular formula C67H43N5 and a molecular weight of 918.12 g/mol. Its IUPAC name is 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• PubChem CID: 142293065
• Molecular Formula: C67H43N5
• Molecular Weight: 918.12 g/mol
• Exact Mass: 917.35
• IUPAC Name: 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
• SMILES: C=Cc1c(C=C)n(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c2ccc(-c3ccc4c(c3)c3c5cccc6c5c(cc3n4-c3ccccc3)-c3ccccc3-6)cc12
• InChI: InChI=1S/C67H43N5/c1-3-51-56-39-46(47-34-36-61-58(40-47)64-55-32-18-31-54-52-29-14-15-30-53(52)57(63(54)55)41-62(64)71(61)49-26-12-7-13-27-49)33-35-60(56)72(59(51)4-2)50-28-17-24-45(38-50)44-23-16-25-48(37-44)67-69-65(42-19-8-5-9-20-42)68-66(70-67)43-21-10-6-11-22-43/h3-41H,1-2H2
• InChIKey: NINHOZWPMQSUGS-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.12
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The IUPAC name of 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene (CID 142293065) is 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene.

What is the SMILES notation for 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The canonical SMILES for 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is C=Cc1c(C=C)n(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)c2ccc(-c3ccc4c(c3)c3c5cccc6c5c(cc3n4-c3ccccc3)-c3ccccc3-6)cc12.

What is the InChIKey of 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

The InChIKey is NINHOZWPMQSUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N5/c1-3-51-56-39-46(47-34-36-61-58(40-47)64-55-32-18-31-54-52-29-14-15-30-53(52)57(63(54)55)41-62(64)71(61)49-26-12-7-13-27-49)33-35-60(56)72(59(51)4-2)50-28-17-24-45(38-50)44-23-16-25-48(37-44)67-69-65(42-19-8-5-9-20-42)68-66(70-67)43-21-10-6-11-22-43/h3-41H,1-2H2.

What are the key properties of 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene?

5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene has a molecular weight of 918.12 g/mol, XLogP of 17.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2,3-bis(ethenyl)indol-5-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 142293065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).