6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

C56H44N2O2 — CID 155360251

About 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine

6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (PubChem CID 155360251) has the molecular formula C56H44N2O2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

Molecular Properties

• Compound Name: 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
• PubChem CID: 155360251
• Molecular Formula: C56H44N2O2
• Molecular Weight: 776.98 g/mol
• Exact Mass: 776.34
• IUPAC Name: 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
• SMILES: Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C)cc6)c6ccc(C)c(C)c6)c6ccccc6c45)c3c3ccccc23)cc1
• InChI: InChI=1S/C56H44N2O2/c1-33-15-21-39(22-16-33)57(41-25-19-35(3)37(5)29-41)49-31-51-53(45-13-9-7-11-43(45)49)47-27-28-48-54-46-14-10-8-12-44(46)50(32-52(54)60-56(48)55(47)59-51)58(40-23-17-34(2)18-24-40)42-26-20-36(4)38(6)30-42/h7-32H,1-6H3
• InChIKey: VKQCBSILOQAJON-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.98
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The IUPAC name of 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine (CID 155360251) is 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine.

What is the SMILES notation for 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The canonical SMILES for 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2cc3oc4c(ccc5c4oc4cc(N(c6ccc(C)cc6)c6ccc(C)c(C)c6)c6ccccc6c45)c3c3ccccc23)cc1.

What is the InChIKey of 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

The InChIKey is VKQCBSILOQAJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2O2/c1-33-15-21-39(22-16-33)57(41-25-19-35(3)37(5)29-41)49-31-51-53(45-13-9-7-11-43(45)49)47-27-28-48-54-46-14-10-8-12-44(46)50(32-52(54)60-56(48)55(47)59-51)58(40-23-17-34(2)18-24-40)42-26-20-36(4)38(6)30-42/h7-32H,1-6H3.

What are the key properties of 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine?

6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine has a molecular weight of 776.98 g/mol, XLogP of 16.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,25-N-bis(3,4-dimethylphenyl)-6-N,25-N-bis(4-methylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine is sourced from PubChem (CID 155360251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).