10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

C64H40N2O4 — CID 155361809

About 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine

10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (PubChem CID 155361809) has the molecular formula C64H40N2O4 and a molecular weight of 901.03 g/mol. Its IUPAC name is 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
• PubChem CID: 155361809
• Molecular Formula: C64H40N2O4
• Molecular Weight: 901.03 g/mol
• Exact Mass: 900.30
• IUPAC Name: 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine
• SMILES: Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(C)cc7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c54)c3c3ccccc23)cc1
• InChI: InChI=1S/C64H40N2O4/c1-37-19-23-39(24-20-37)65(41-27-30-56-50(33-41)45-13-7-9-17-54(45)67-56)52-35-59-61(47-15-5-3-11-43(47)52)49-29-32-58-63(64(49)70-59)62-48-16-6-4-12-44(48)53(36-60(62)69-58)66(40-25-21-38(2)22-26-40)42-28-31-57-51(34-42)46-14-8-10-18-55(46)68-57/h3-36H,1-2H3
• InChIKey: XRVGRDKBFVMLGS-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.03
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine (CID 155361809) is 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3oc4c(ccc5oc6cc(N(c7ccc(C)cc7)c7ccc8oc9ccccc9c8c7)c7ccccc7c6c54)c3c3ccccc23)cc1.

What is the InChIKey of 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

The InChIKey is XRVGRDKBFVMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2O4/c1-37-19-23-39(24-20-37)65(41-27-30-56-50(33-41)45-13-7-9-17-54(45)67-56)52-35-59-61(47-15-5-3-11-43(47)52)49-29-32-58-63(64(49)70-59)62-48-16-6-4-12-44(48)53(36-60(62)69-58)66(40-25-21-38(2)22-26-40)42-28-31-57-51(34-42)46-14-8-10-18-55(46)68-57/h3-36H,1-2H3.

What are the key properties of 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine?

10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine has a molecular weight of 901.03 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-di(dibenzofuran-2-yl)-10-N,25-N-bis(4-methylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.019,24]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-10,25-diamine is sourced from PubChem (CID 155361809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).