9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

C62H56N2O2 — CID 155360714

About 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine

9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (PubChem CID 155360714) has the molecular formula C62H56N2O2 and a molecular weight of 861.14 g/mol. Its IUPAC name is 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

Molecular Properties

• Compound Name: 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• PubChem CID: 155360714
• Molecular Formula: C62H56N2O2
• Molecular Weight: 861.14 g/mol
• Exact Mass: 860.43
• IUPAC Name: 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
• SMILES: Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc4ccc63)c2)cc(C)c1C
• InChI: InChI=1S/C62H56N2O2/c1-33-21-49(22-34(2)41(33)9)63(50-23-35(3)42(10)36(4)24-50)47-15-19-53-45(29-47)13-17-55-57-31-58-56-18-14-46-30-48(16-20-54(46)62(56)66-60(58)32-59(57)65-61(53)55)64(51-25-37(5)43(11)38(6)26-51)52-27-39(7)44(12)40(8)28-52/h13-32H,1-12H3
• InChIKey: ZAYZNUUYBJAQSW-UHFFFAOYSA-N
• XLogP: 18.43
• 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	18.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The IUPAC name of 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine (CID 155360714) is 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine.

What is the SMILES notation for 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The canonical SMILES for 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)cc4ccc63)c2)cc(C)c1C.

What is the InChIKey of 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

The InChIKey is ZAYZNUUYBJAQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H56N2O2/c1-33-21-49(22-34(2)41(33)9)63(50-23-35(3)42(10)36(4)24-50)47-15-19-53-45(29-47)13-17-55-57-31-58-56-18-14-46-30-48(16-20-54(46)62(56)66-60(58)32-59(57)65-61(53)55)64(51-25-37(5)43(11)38(6)26-51)52-27-39(7)44(12)40(8)28-52/h13-32H,1-12H3.

What are the key properties of 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine?

9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine has a molecular weight of 861.14 g/mol, XLogP of 18.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,9-N,23-N,23-N-tetrakis(3,4,5-trimethylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine is sourced from PubChem (CID 155360714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).