8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

C61H54N2O2 — CID 155360665

About 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine

8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (PubChem CID 155360665) has the molecular formula C61H54N2O2 and a molecular weight of 847.12 g/mol. Its IUPAC name is 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• PubChem CID: 155360665
• Molecular Formula: C61H54N2O2
• Molecular Weight: 847.12 g/mol
• Exact Mass: 846.42
• IUPAC Name: 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine
• SMILES: Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C(C)C)c2c3cc4ccc(N(c5c(C)cccc5C)c5c(C)cccc5C)cc4cc3oc12)c1c(C)cccc1C
• InChI: InChI=1S/C61H54N2O2/c1-34(2)49-33-51-50-29-43-23-25-47(62(56-35(3)15-11-16-36(56)4)57-37(5)17-12-18-38(57)6)27-45(43)31-53(50)64-60(51)61-55(49)52-30-44-24-26-48(28-46(44)32-54(52)65-61)63(58-39(7)19-13-20-40(58)8)59-41(9)21-14-22-42(59)10/h11-34H,1-10H3
• InChIKey: AJLSDQQTSRHTDN-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.12
LogP ≤ 5	18.32
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(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The IUPAC name of 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine (CID 155360665) is 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is Cc1cccc(C)c1N(c1ccc2cc3c(cc2c1)oc1c3cc(C(C)C)c2c3cc4ccc(N(c5c(C)cccc5C)c5c(C)cccc5C)cc4cc3oc12)c1c(C)cccc1C.

What is the InChIKey of 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

The InChIKey is AJLSDQQTSRHTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54N2O2/c1-34(2)49-33-51-50-29-43-23-25-47(62(56-35(3)15-11-16-36(56)4)57-37(5)17-12-18-38(57)6)27-45(43)31-53(50)64-60(51)61-55(49)52-30-44-24-26-48(28-46(44)32-54(52)65-61)63(58-39(7)19-13-20-40(58)8)59-41(9)21-14-22-42(59)10/h11-34H,1-10H3.

What are the key properties of 8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine?

8-N,8-N,23-N,23-N-tetrakis(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine has a molecular weight of 847.12 g/mol, XLogP of 18.32, 7 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(2,6-dimethylphenyl)-15-propan-2-yl-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.06,11.018,27.020,25]octacosa-1,4(13),5,7,9,11,14,16,18(27),19,21,23,25-tridecaene-8,23-diamine is sourced from PubChem (CID 155360665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).