8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C54H38N4 — CID 130393457

About 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393457) has the molecular formula C54H38N4 and a molecular weight of 742.93 g/mol. Its IUPAC name is 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130393457
• Molecular Formula: C54H38N4
• Molecular Weight: 742.93 g/mol
• Exact Mass: 742.31
• IUPAC Name: 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: C/C1=C(c2cccc3ccccc23)/C=C(c2cccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)c2)\N=C(\c2cccc3ccccc23)CC1
• InChI: InChI=1S/C54H38N4/c1-35-26-31-49(45-24-12-16-38-14-3-5-20-43(38)45)55-50(34-48(35)44-23-11-15-37-13-2-4-19-42(37)44)41-18-10-17-40(33-41)36-27-29-39(30-28-36)52-46-21-6-7-22-47(46)53-54(57-52)58-32-9-8-25-51(58)56-53/h2-25,27-30,32-34H,26,31H2,1H3/b48-35+,50-34-,55-49+
• InChIKey: LZKQBMNZYDMCFQ-AQOXVHDSSA-N
• XLogP: 13.77
• TPSA: 42.55 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.93
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393457) is 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is C/C1=C(c2cccc3ccccc23)/C=C(c2cccc(-c3ccc(-c4nc5c(nc6ccccn65)c5ccccc45)cc3)c2)\N=C(\c2cccc3ccccc23)CC1.

What is the InChIKey of 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is LZKQBMNZYDMCFQ-AQOXVHDSSA-N. The full InChI is InChI=1S/C54H38N4/c1-35-26-31-49(45-24-12-16-38-14-3-5-20-43(38)45)55-50(34-48(35)44-23-11-15-37-13-2-4-19-42(37)44)41-18-10-17-40(33-41)36-27-29-39(30-28-36)52-46-21-6-7-22-47(46)53-54(57-52)58-32-9-8-25-51(58)56-53/h2-25,27-30,32-34H,26,31H2,1H3/b48-35+,50-34-,55-49+.

What are the key properties of 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 742.93 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[3-[(5Z,7Z)-5-methyl-2,6-dinaphthalen-1-yl-3,4-dihydroazocin-8-yl]phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).