8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

C62H56N2O2 — CID 155363248

About 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155363248) has the molecular formula C62H56N2O2 and a molecular weight of 861.14 g/mol. Its IUPAC name is 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 155363248
• Molecular Formula: C62H56N2O2
• Molecular Weight: 861.14 g/mol
• Exact Mass: 860.43
• IUPAC Name: 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Cc1cc(C)cc(N(c2cccc(C(C)(C)C)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6cc(C)cc(C)c6)c6cccc(C(C)(C)C)c6)cc5cc4oc32)c1
• InChI: InChI=1S/C62H56N2O2/c1-37-23-38(2)26-51(25-37)63(47-15-11-13-45(35-47)61(5,6)7)49-19-17-41-31-55-53-21-22-54-56-32-42-18-20-50(30-44(42)34-58(56)66-60(54)59(53)65-57(55)33-43(41)29-49)64(52-27-39(3)24-40(4)28-52)48-16-12-14-46(36-48)62(8,9)10/h11-36H,1-10H3
• InChIKey: SWCHZGSUIBJWRW-UHFFFAOYSA-N
• XLogP: 18.56
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.14
LogP ≤ 5	18.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155363248) is 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1cc(C)cc(N(c2cccc(C(C)(C)C)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6cc(C)cc(C)c6)c6cccc(C(C)(C)C)c6)cc5cc4oc32)c1.

What is the InChIKey of 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is SWCHZGSUIBJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O2/c1-37-23-38(2)26-51(25-37)63(47-15-11-13-45(35-47)61(5,6)7)49-19-17-41-31-55-53-21-22-54-56-32-42-18-20-50(30-44(42)34-58(56)66-60(54)59(53)65-57(55)33-43(41)29-49)64(52-27-39(3)24-40(4)28-52)48-16-12-14-46(36-48)62(8,9)10/h11-36H,1-10H3.

What are the key properties of 8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,23-N-bis(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 861.14 g/mol, XLogP of 18.56, 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(3-tert-butylphenyl)-8-N,23-N-bis(3,5-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155363248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).