8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

C66H48N2O2 — CID 58890363

About 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (PubChem CID 58890363) has the molecular formula C66H48N2O2 and a molecular weight of 901.12 g/mol. Its IUPAC name is 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

Molecular Properties

• Compound Name: 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
• PubChem CID: 58890363
• Molecular Formula: C66H48N2O2
• Molecular Weight: 901.12 g/mol
• Exact Mass: 900.37
• IUPAC Name: 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
• SMILES: COc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C)cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1
• InChI: InChI=1S/C66H48N2O2/c1-41-21-25-45(26-22-41)67(47-29-33-49(69-3)34-30-47)57-39-37-55-61-51(57)17-11-19-53(61)63-59(43-13-7-5-8-14-43)64-54-20-12-18-52-58(68(46-27-23-42(2)24-28-46)48-31-35-50(70-4)36-32-48)40-38-56(62(52)54)66(64)60(65(55)63)44-15-9-6-10-16-44/h5-40H,1-4H3
• InChIKey: WFARLHHHANDBIJ-UHFFFAOYSA-N
• XLogP: 18.39
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.12
LogP ≤ 5	18.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The IUPAC name of 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (CID 58890363) is 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

What is the SMILES notation for 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The canonical SMILES for 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is COc1ccc(N(c2ccc(C)cc2)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7ccc(C)cc7)c7ccc(OC)cc7)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1.

What is the InChIKey of 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The InChIKey is WFARLHHHANDBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N2O2/c1-41-21-25-45(26-22-41)67(47-29-33-49(69-3)34-30-47)57-39-37-55-61-51(57)17-11-19-53(61)63-59(43-13-7-5-8-14-43)64-54-20-12-18-52-58(68(46-27-23-42(2)24-28-46)48-31-35-50(70-4)36-32-48)40-38-56(62(52)54)66(64)60(65(55)63)44-15-9-6-10-16-44/h5-40H,1-4H3.

What are the key properties of 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine has a molecular weight of 901.12 g/mol, XLogP of 18.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,22-N-bis(4-methoxyphenyl)-8-N,22-N-bis(4-methylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is sourced from PubChem (CID 58890363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).