8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

C73H60N2O4 — CID 167304232

About 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine

8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (PubChem CID 167304232) has the molecular formula C73H60N2O4 and a molecular weight of 1029.29 g/mol. Its IUPAC name is 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• PubChem CID: 167304232
• Molecular Formula: C73H60N2O4
• Molecular Weight: 1029.29 g/mol
• Exact Mass: 1028.46
• IUPAC Name: 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
• SMILES: C=C/C=C(\c1oc2c(C(C)(C)C)cccc2c1C)N(c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc5cc4c2c13)c1ccccc1C
• InChI: InChI=1S/C73H60N2O4/c1-11-19-60(68-44(4)51-22-16-25-56(69(51)78-68)72(5,6)7)74(58-27-14-12-20-42(58)2)49-32-30-45-38-54-64(40-47(45)36-49)76-62-34-35-63-67(66(54)62)55-39-46-31-33-50(37-48(46)41-65(55)77-63)75(59-28-15-13-21-43(59)3)61-29-18-24-53-52-23-17-26-57(73(8,9)10)70(52)79-71(53)61/h11-41H,1H2,2-10H3/b60-19+
• InChIKey: NWBQNLYMOYMDLG-BJWBMHKPSA-N
• XLogP: 21.79
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.29
LogP ≤ 5	21.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The IUPAC name of 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine (CID 167304232) is 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The canonical SMILES for 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is C=C/C=C(\c1oc2c(C(C)(C)C)cccc2c1C)N(c1ccc2cc3c(cc2c1)oc1ccc2oc4cc5cc(N(c6ccccc6C)c6cccc7c6oc6c(C(C)(C)C)cccc67)ccc5cc4c2c13)c1ccccc1C.

What is the InChIKey of 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

The InChIKey is NWBQNLYMOYMDLG-BJWBMHKPSA-N. The full InChI is InChI=1S/C73H60N2O4/c1-11-19-60(68-44(4)51-22-16-25-56(69(51)78-68)72(5,6)7)74(58-27-14-12-20-42(58)2)49-32-30-45-38-54-64(40-47(45)36-49)76-62-34-35-63-67(66(54)62)55-39-46-31-33-50(37-48(46)41-65(55)77-63)75(59-28-15-13-21-43(59)3)61-29-18-24-53-52-23-17-26-57(73(8,9)10)70(52)79-71(53)61/h11-41H,1H2,2-10H3/b60-19+.

What are the key properties of 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine?

8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine has a molecular weight of 1029.29 g/mol, XLogP of 21.79, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(6-tert-butyldibenzofuran-4-yl)-23-N-[(1E)-1-(7-tert-butyl-3-methyl-1-benzofuran-2-yl)buta-1,3-dienyl]-8-N,23-N-bis(2-methylphenyl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine is sourced from PubChem (CID 167304232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).