8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

C58H48N2O2 — CID 155359484

About 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (PubChem CID 155359484) has the molecular formula C58H48N2O2 and a molecular weight of 805.03 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• PubChem CID: 155359484
• Molecular Formula: C58H48N2O2
• Molecular Weight: 805.03 g/mol
• Exact Mass: 804.37
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• SMILES: Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C)c(C)c9)c9ccc(C)c(C)c9)ccc8c7oc6c5oc34)c2)cc1C
• InChI: InChI=1S/C58H48N2O2/c1-33-9-15-43(27-37(33)5)59(44-16-10-34(2)38(6)28-44)47-19-23-49-41(31-47)13-21-51-53-25-26-54-52-22-14-42-32-48(20-24-50(42)56(52)62-58(54)57(53)61-55(49)51)60(45-17-11-35(3)39(7)29-45)46-18-12-36(4)40(8)30-46/h9-32H,1-8H3
• InChIKey: ZBJXAOCSPAFVFJ-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.03
LogP ≤ 5	17.20
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(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (CID 155359484) is 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C)c(C)c9)c9ccc(C)c(C)c9)ccc8c7oc6c5oc34)c2)cc1C.

What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The InChIKey is ZBJXAOCSPAFVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2O2/c1-33-9-15-43(27-37(33)5)59(44-16-10-34(2)38(6)28-44)47-19-23-49-41(31-47)13-21-51-53-25-26-54-52-22-14-42-32-48(20-24-50(42)56(52)62-58(54)57(53)61-55(49)51)60(45-17-11-35(3)39(7)29-45)46-18-12-36(4)40(8)30-46/h9-32H,1-8H3.

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

8-N,8-N,23-N,23-N-tetrakis(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine has a molecular weight of 805.03 g/mol, XLogP of 17.20, 6 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(3,4-dimethylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is sourced from PubChem (CID 155359484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).