12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

C59H39N5 — CID 155238282

About 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (PubChem CID 155238282) has the molecular formula C59H39N5 and a molecular weight of 818.00 g/mol. Its IUPAC name is 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• PubChem CID: 155238282
• Molecular Formula: C59H39N5
• Molecular Weight: 818.00 g/mol
• Exact Mass: 817.32
• IUPAC Name: 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
• SMILES: C1=CCCC(n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)cccc56)c4cc32)=C1
• InChI: InChI=1S/C59H39N5/c1-4-17-38(18-5-1)40-23-14-24-43(33-40)58-60-57(39-19-6-2-7-20-39)61-59(62-58)48-30-15-29-46-45(48)28-16-32-53(46)64-52-31-13-12-27-47(52)50-36-51-49-34-41-21-10-11-22-42(41)35-54(49)63(55(51)37-56(50)64)44-25-8-3-9-26-44/h1-8,10-25,27-37H,9,26H2
• InChIKey: LOFOMUQAYDAUSL-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.00
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The IUPAC name of 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene (CID 155238282) is 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene.

What is the SMILES notation for 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The canonical SMILES for 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is C1=CCCC(n2c3cc4ccccc4cc3c3cc4c5ccccc5n(-c5cccc6c(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)cccc56)c4cc32)=C1.

What is the InChIKey of 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

The InChIKey is LOFOMUQAYDAUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N5/c1-4-17-38(18-5-1)40-23-14-24-43(33-40)58-60-57(39-19-6-2-7-20-39)61-59(62-58)48-30-15-29-46-45(48)28-16-32-53(46)64-52-31-13-12-27-47(52)50-36-51-49-34-41-21-10-11-22-42(41)35-54(49)63(55(51)37-56(50)64)44-25-8-3-9-26-44/h1-8,10-25,27-37H,9,26H2.

What are the key properties of 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene?

12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene has a molecular weight of 818.00 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-cyclohexa-1,3-dien-1-yl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene is sourced from PubChem (CID 155238282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).