9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C65H41N5 — CID 138654316

About 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 138654316) has the molecular formula C65H41N5 and a molecular weight of 892.08 g/mol. Its IUPAC name is 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 138654316
• Molecular Formula: C65H41N5
• Molecular Weight: 892.08 g/mol
• Exact Mass: 891.34
• IUPAC Name: 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7cc8c9c%10ccccc%10c(-c%10ccccc%10)cc9n(-c9ccccc9)c8cc76)ccc45)n3)cc2)cc1
• InChI: InChI=1S/C65H41N5/c1-5-18-42(19-6-1)43-32-34-46(35-33-43)64-66-63(45-22-9-3-10-23-45)67-65(68-64)54-30-17-24-47-38-49(36-37-50(47)54)70-58-31-16-15-28-52(58)56-39-57-60(41-59(56)70)69(48-25-11-4-12-26-48)61-40-55(44-20-7-2-8-21-44)51-27-13-14-29-53(51)62(57)61/h1-41H
• InChIKey: LXCDLOXUQGKZJR-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.08
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 138654316) is 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7cc8c9c%10ccccc%10c(-c%10ccccc%10)cc9n(-c9ccccc9)c8cc76)ccc45)n3)cc2)cc1.

What is the InChIKey of 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is LXCDLOXUQGKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5/c1-5-18-42(19-6-1)43-32-34-46(35-33-43)64-66-63(45-22-9-3-10-23-45)67-65(68-64)54-30-17-24-47-38-49(36-37-50(47)54)70-58-31-16-15-28-52(58)56-39-57-60(41-59(56)70)69(48-25-11-4-12-26-48)61-40-55(44-20-7-2-8-21-44)51-27-13-14-29-53(51)62(57)61/h1-41H.

What are the key properties of 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 892.08 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9,12-diphenyl-16-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 138654316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).