15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

C74H64N2O2 — CID 155360857

About 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155360857) has the molecular formula C74H64N2O2 and a molecular weight of 1013.34 g/mol. Its IUPAC name is 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 155360857
• Molecular Formula: C74H64N2O2
• Molecular Weight: 1013.34 g/mol
• Exact Mass: 1012.50
• IUPAC Name: 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4c(-c3ccccc3)c(-c3ccccc3)c3oc4cc5cc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)ccc5cc4c32)cc1
• InChI: InChI=1S/C74H64N2O2/c1-45(2)49-19-29-59(30-20-49)75(60-31-21-50(22-32-60)46(3)4)63-37-27-55-41-65-67(43-57(55)39-63)78-74-71(65)69(53-15-11-9-12-16-53)70(54-17-13-10-14-18-54)73-72(74)66-42-56-28-38-64(40-58(56)44-68(66)77-73)76(61-33-23-51(24-34-61)47(5)6)62-35-25-52(26-36-62)48(7)8/h9-48H,1-8H3
• InChIKey: QARPSNZKWLHXQB-UHFFFAOYSA-N
• XLogP: 22.56
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.34
LogP ≤ 5	22.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155360857) is 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3cc4c(cc3c2)oc2c4c(-c3ccccc3)c(-c3ccccc3)c3oc4cc5cc(N(c6ccc(C(C)C)cc6)c6ccc(C(C)C)cc6)ccc5cc4c32)cc1.

What is the InChIKey of 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is QARPSNZKWLHXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H64N2O2/c1-45(2)49-19-29-59(30-20-49)75(60-31-21-50(22-32-60)46(3)4)63-37-27-55-41-65-67(43-57(55)39-63)78-74-71(65)69(53-15-11-9-12-16-53)70(54-17-13-10-14-18-54)73-72(74)66-42-56-28-38-64(40-58(56)44-68(66)77-73)76(61-33-23-51(24-34-61)47(5)6)62-35-25-52(26-36-62)48(7)8/h9-48H,1-8H3.

What are the key properties of 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 1013.34 g/mol, XLogP of 22.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,16-diphenyl-8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1,3(12),4,6,8,10,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155360857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).