8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C75H74N2O2 — CID 147127485

About 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 147127485) has the molecular formula C75H74N2O2 and a molecular weight of 1035.43 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 147127485
• Molecular Formula: C75H74N2O2
• Molecular Weight: 1035.43 g/mol
• Exact Mass: 1034.58
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Cc1cc2c3cc4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)ccc3cc12
• InChI: InChI=1S/C75H74N2O2/c1-49-42-69-68-45-58-30-40-66(76(62-32-22-54(23-33-62)50-14-6-2-7-15-50)63-34-24-55(25-35-63)51-16-8-3-9-17-51)43-60(58)47-71(68)79-75(69)73-70-46-59-31-41-67(44-61(59)48-72(70)78-74(49)73)77(64-36-26-56(27-37-64)52-18-10-4-11-19-52)65-38-28-57(29-39-65)53-20-12-5-13-21-53/h22-48,50-53H,2-21H2,1H3
• InChIKey: BPOICVSRZPOLPL-UHFFFAOYSA-N
• XLogP: 23.23
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.43
LogP ≤ 5	23.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 147127485) is 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1cc2c3cc4ccc(N(c5ccc(C6CCCCC6)cc5)c5ccc(C6CCCCC6)cc5)cc4cc3oc2c2c1oc1cc3cc(N(c4ccc(C5CCCCC5)cc4)c4ccc(C5CCCCC5)cc4)ccc3cc12.

What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is BPOICVSRZPOLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H74N2O2/c1-49-42-69-68-45-58-30-40-66(76(62-32-22-54(23-33-62)50-14-6-2-7-15-50)63-34-24-55(25-35-63)51-16-8-3-9-17-51)43-60(58)47-71(68)79-75(69)73-70-46-59-31-41-67(44-61(59)48-72(70)78-74(49)73)77(64-36-26-56(27-37-64)52-18-10-4-11-19-52)65-38-28-57(29-39-65)53-20-12-5-13-21-53/h22-48,50-53H,2-21H2,1H3.

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 1035.43 g/mol, XLogP of 23.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,8-N,23-N,23-N-tetrakis(4-cyclohexylphenyl)-15-methyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 147127485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).