8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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

C56H44N2O8 — CID 155362787

About 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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 155362787) 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)-13,18-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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: 155362787
• 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)-13,18-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: COc1cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccccc7)c7cc(OC)c(OC)c(OC)c7)ccc6cc5c3c24)cc(OC)c1OC
• InChI: InChI=1S/C56H44N2O8/c1-59-49-29-41(30-50(60-2)55(49)63-5)57(37-13-9-7-10-14-37)39-19-17-33-25-43-47(27-35(33)23-39)65-45-21-22-46-54(53(43)45)44-26-34-18-20-40(24-36(34)28-48(44)66-46)58(38-15-11-8-12-16-38)42-31-51(61-3)56(64-6)52(32-42)62-4/h7-32H,1-6H3
• InChIKey: MCARURNGNXAUHY-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)-13,18-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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 155362787) is 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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 COc1cc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccccc7)c7cc(OC)c(OC)c(OC)c7)ccc6cc5c3c24)cc(OC)c1OC.

What is the InChIKey of 8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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 MCARURNGNXAUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O8/c1-59-49-29-41(30-50(60-2)55(49)63-5)57(37-13-9-7-10-14-37)39-19-17-33-25-43-47(27-35(33)23-39)65-45-21-22-46-54(53(43)45)44-26-34-18-20-40(24-36(34)28-48(44)66-46)58(38-15-11-8-12-16-38)42-31-51(61-3)56(64-6)52(32-42)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)-13,18-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-diphenyl-8-N,23-N-bis(3,4,5-trimethoxyphenyl)-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 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)-13,18-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 155362787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).