8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

C56H44N2O8 — CID 155361763

About 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (PubChem CID 155361763) has the molecular formula C56H44N2O8 and a molecular weight of 872.97 g/mol. Its IUPAC name is 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• PubChem CID: 155361763
• Molecular Formula: C56H44N2O8
• Molecular Weight: 872.97 g/mol
• Exact Mass: 872.31
• IUPAC Name: 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• SMILES: COc1cc(N(c2ccccc2)c2ccc3c(ccc4c5ccc6oc7c8ccc(N(c9ccccc9)c9cc(OC)c(OC)c(OC)c9)cc8ccc7c6c5oc34)c2)cc(OC)c1OC
• InChI: InChI=1S/C56H44N2O8/c1-59-47-29-39(30-48(60-2)55(47)63-5)57(35-13-9-7-10-14-35)37-19-23-41-33(27-37)17-21-43-44-25-26-46-51(54(44)66-52(41)43)45-22-18-34-28-38(20-24-42(34)53(45)65-46)58(36-15-11-8-12-16-36)40-31-49(61-3)56(64-6)50(32-40)62-4/h7-32H,1-6H3
• InChIKey: DCOBRJWQTKWCDU-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 88.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.97
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (CID 155361763) is 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is COc1cc(N(c2ccccc2)c2ccc3c(ccc4c5ccc6oc7c8ccc(N(c9ccccc9)c9cc(OC)c(OC)c(OC)c9)cc8ccc7c6c5oc34)c2)cc(OC)c1OC.

What is the InChIKey of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The InChIKey is DCOBRJWQTKWCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O8/c1-59-47-29-39(30-48(60-2)55(47)63-5)57(35-13-9-7-10-14-35)37-19-23-41-33(27-37)17-21-43-44-25-26-46-51(54(44)66-52(41)43)45-22-18-34-28-38(20-24-42(34)53(45)65-46)58(36-15-11-8-12-16-36)40-31-49(61-3)56(64-6)50(32-40)62-4/h7-32H,1-6H3.

What are the key properties of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine has a molecular weight of 872.97 g/mol, XLogP of 14.78, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.021,26]octacosa-1(17),2(14),3(12),4,6(11),7,9,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is sourced from PubChem (CID 155361763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).