8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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

C54H40N2O2 — CID 155359866

About 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 155359866) has the molecular formula C54H40N2O2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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: 155359866
• Molecular Formula: C54H40N2O2
• Molecular Weight: 748.93 g/mol
• Exact Mass: 748.31
• IUPAC Name: 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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: Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7C)ccc6cc5c3c24)c1C
• InChI: InChI=1S/C54H40N2O2/c1-33-13-11-19-47(35(33)3)55(41-15-7-5-8-16-41)43-23-21-37-29-45-51(31-39(37)27-43)57-49-25-26-50-54(53(45)49)46-30-38-22-24-44(28-40(38)32-52(46)58-50)56(42-17-9-6-10-18-42)48-20-12-14-34(2)36(48)4/h5-32H,1-4H3
• InChIKey: HDVMLOAOHXXHNH-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.93
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 155359866) is 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 Cc1cccc(N(c2ccccc2)c2ccc3cc4c(cc3c2)oc2ccc3oc5cc6cc(N(c7ccccc7)c7cccc(C)c7C)ccc6cc5c3c24)c1C.

What is the InChIKey of 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 HDVMLOAOHXXHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O2/c1-33-13-11-19-47(35(33)3)55(41-15-7-5-8-16-41)43-23-21-37-29-45-51(31-39(37)27-43)57-49-25-26-50-54(53(45)49)46-30-38-22-24-44(28-40(38)32-52(46)58-50)56(42-17-9-6-10-18-42)48-20-12-14-34(2)36(48)4/h5-32H,1-4H3.

What are the key properties of 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 748.93 g/mol, XLogP of 15.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(2,3-dimethylphenyl)-8-N,23-N-diphenyl-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 155359866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).