8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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

C60H52N2O2 — CID 155363246

About 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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 155363246) has the molecular formula C60H52N2O2 and a molecular weight of 833.09 g/mol. Its IUPAC name is 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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: 155363246
• Molecular Formula: C60H52N2O2
• Molecular Weight: 833.09 g/mol
• Exact Mass: 832.40
• IUPAC Name: 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6cc(C)cc(C)c6)c6cccc(C(C)C)c6)cc5cc4oc32)c1
• InChI: InChI=1S/C60H52N2O2/c1-35(2)41-11-9-13-47(27-41)61(51-23-37(5)21-38(6)24-51)49-17-15-43-31-55-53-19-20-54-56-32-44-16-18-50(30-46(44)34-58(56)64-60(54)59(53)63-57(55)33-45(43)29-49)62(52-25-39(7)22-40(8)26-52)48-14-10-12-42(28-48)36(3)4/h9-36H,1-8H3
• InChIKey: IHKGCYLBERUUHU-UHFFFAOYSA-N
• XLogP: 18.21
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.09
LogP ≤ 5	18.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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 155363246) is 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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)c2)c2ccc3cc4c(cc3c2)oc2c4ccc3c4cc5ccc(N(c6cc(C)cc(C)c6)c6cccc(C(C)C)c6)cc5cc4oc32)c1.

What is the InChIKey of 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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 IHKGCYLBERUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2O2/c1-35(2)41-11-9-13-47(27-41)61(51-23-37(5)21-38(6)24-51)49-17-15-43-31-55-53-19-20-54-56-32-44-16-18-50(30-46(44)34-58(56)64-60(54)59(53)63-57(55)33-45(43)29-49)62(52-25-39(7)22-40(8)26-52)48-14-10-12-42(28-48)36(3)4/h9-36H,1-8H3.

What are the key properties of 8-N,23-N-bis(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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 833.09 g/mol, XLogP of 18.21, 8 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(3,5-dimethylphenyl)-8-N,23-N-bis(3-propan-2-ylphenyl)-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 155363246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).