8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C58H48N2O4 — CID 155362731

About 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 155362731) has the molecular formula C58H48N2O4 and a molecular weight of 837.03 g/mol. Its IUPAC name is 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• PubChem CID: 155362731
• Molecular Formula: C58H48N2O4
• Molecular Weight: 837.03 g/mol
• Exact Mass: 836.36
• IUPAC Name: 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• SMILES: COc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(OC)cc7)c7ccc(C(C)C)cc7)ccc6cc5c3c24)cc1
• InChI: InChI=1S/C58H48N2O4/c1-35(2)37-7-13-43(14-8-37)59(45-19-23-49(61-5)24-20-45)47-17-11-39-31-51-55(33-41(39)29-47)63-53-27-28-54-58(57(51)53)52-32-40-12-18-48(30-42(40)34-56(52)64-54)60(46-21-25-50(62-6)26-22-46)44-15-9-38(10-16-44)36(3)4/h7-36H,1-6H3
• InChIKey: IQIYXXPCHOCNMQ-UHFFFAOYSA-N
• XLogP: 17.00
• TPSA: 51.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.03
LogP ≤ 5	17.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 155362731) is 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is COc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccc(OC)cc7)c7ccc(C(C)C)cc7)ccc6cc5c3c24)cc1.

What is the InChIKey of 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The InChIKey is IQIYXXPCHOCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2O4/c1-35(2)37-7-13-43(14-8-37)59(45-19-23-49(61-5)24-20-45)47-17-11-39-31-51-55(33-41(39)29-47)63-53-27-28-54-58(57(51)53)52-32-40-12-18-48(30-42(40)34-56(52)64-54)60(46-21-25-50(62-6)26-22-46)44-15-9-38(10-16-44)36(3)4/h7-36H,1-6H3.

What are the key properties of 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 837.03 g/mol, XLogP of 17.00, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(4-methoxyphenyl)-8-N,23-N-bis(4-propan-2-ylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 155362731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).