6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine

C88H60N4O2 — CID 163741499

About 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine

6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine (PubChem CID 163741499) has the molecular formula C88H60N4O2 and a molecular weight of 1205.47 g/mol. Its IUPAC name is 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine.

Molecular Properties

• Compound Name: 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
• PubChem CID: 163741499
• Molecular Formula: C88H60N4O2
• Molecular Weight: 1205.47 g/mol
• Exact Mass: 1204.47
• IUPAC Name: 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine
• SMILES: Cc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4cccc5ccccc45)c4cccc5ccccc45)cc4c(cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c5oc6cc(N(c7ccccc7)c7ccc(C)cc7)ccc6c54)c23)cc1
• InChI: InChI=1S/C88H60N4O2/c1-57-41-45-65(46-42-57)89(63-29-5-3-6-30-63)67-49-51-73-83(53-67)93-87-81(91(77-37-17-25-59-21-9-13-33-69(59)77)78-38-18-26-60-22-10-14-34-70(60)78)56-76-75(85(73)87)55-82(92(79-39-19-27-61-23-11-15-35-71(61)79)80-40-20-28-62-24-12-16-36-72(62)80)88-86(76)74-52-50-68(54-84(74)94-88)90(64-31-7-4-8-32-64)66-47-43-58(2)44-48-66/h3-56H,1-2H3
• InChIKey: LIDXXJPHQKOCFV-UHFFFAOYSA-N
• XLogP: 25.75
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.47
LogP ≤ 5	25.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?

The IUPAC name of 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine (CID 163741499) is 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine.

What is the SMILES notation for 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?

The canonical SMILES for 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine is Cc1ccc(N(c2ccccc2)c2ccc3c(c2)oc2c(N(c4cccc5ccccc45)c4cccc5ccccc45)cc4c(cc(N(c5cccc6ccccc56)c5cccc6ccccc56)c5oc6cc(N(c7ccccc7)c7ccc(C)cc7)ccc6c54)c23)cc1.

What is the InChIKey of 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?

The InChIKey is LIDXXJPHQKOCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H60N4O2/c1-57-41-45-65(46-42-57)89(63-29-5-3-6-30-63)67-49-51-73-83(53-67)93-87-81(91(77-37-17-25-59-21-9-13-33-69(59)77)78-38-18-26-60-22-10-14-34-70(60)78)56-76-75(85(73)87)55-82(92(79-39-19-27-61-23-11-15-35-71(61)79)80-40-20-28-62-24-12-16-36-72(62)80)88-86(76)74-52-50-68(54-84(74)94-88)90(64-31-7-4-8-32-64)66-47-43-58(2)44-48-66/h3-56H,1-2H3.

What are the key properties of 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine?

6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine has a molecular weight of 1205.47 g/mol, XLogP of 25.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,18-N-bis(4-methylphenyl)-11-N,11-N,23-N,23-N-tetranaphthalen-1-yl-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(24),2(10),3(8),4,6,11,13,15(20),16,18,22-undecaene-6,11,18,23-tetramine is sourced from PubChem (CID 163741499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).