11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

C62H56N2O2 — CID 148884007

About 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine

11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (PubChem CID 148884007) has the molecular formula C62H56N2O2 and a molecular weight of 861.14 g/mol. Its IUPAC name is 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.

Molecular Properties

• Compound Name: 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
• PubChem CID: 148884007
• Molecular Formula: C62H56N2O2
• Molecular Weight: 861.14 g/mol
• Exact Mass: 860.43
• IUPAC Name: 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3ccccc3c25)cc1
• InChI: InChI=1S/C62H56N2O2/c1-37(2)41-17-25-45(26-18-41)63(46-27-19-42(20-28-46)38(3)4)55-35-59-61(51-15-11-9-13-49(51)55)53-33-58-54(34-57(53)65-59)62-52-16-12-10-14-50(52)56(36-60(62)66-58)64(47-29-21-43(22-30-47)39(5)6)48-31-23-44(24-32-48)40(7)8/h9-40H,1-8H3
• InChIKey: PDPXVMCMTACNEA-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.14
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?

The IUPAC name of 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine (CID 148884007) is 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine.

What is the SMILES notation for 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?

The canonical SMILES for 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2cc3oc4cc5c(cc4c3c3ccccc23)oc2cc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)C)cc3)c3ccccc3c25)cc1.

What is the InChIKey of 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?

The InChIKey is PDPXVMCMTACNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O2/c1-37(2)41-17-25-45(26-18-41)63(46-27-19-42(20-28-46)38(3)4)55-35-59-61(51-15-11-9-13-49(51)55)53-33-58-54(34-57(53)65-59)62-52-16-12-10-14-50(52)56(36-60(62)66-58)64(47-29-21-43(22-30-47)39(5)6)48-31-23-44(24-32-48)40(7)8/h9-40H,1-8H3.

What are the key properties of 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine?

11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine has a molecular weight of 861.14 g/mol, XLogP of 19.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-N,11-N,25-N,25-N-tetrakis(4-propan-2-ylphenyl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-11,25-diamine is sourced from PubChem (CID 148884007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).