8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

C83H52N2O4 — CID 163982454

About 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine

8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (PubChem CID 163982454) has the molecular formula C83H52N2O4 and a molecular weight of 1141.34 g/mol. Its IUPAC name is 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.

Molecular Properties

• Compound Name: 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
• PubChem CID: 163982454
• Molecular Formula: C83H52N2O4
• Molecular Weight: 1141.34 g/mol
• Exact Mass: 1140.39
• IUPAC Name: 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
• SMILES: CC1(C)c2cc3c(cc2-c2cc4oc5cc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc7oc8ccccc8c7c6)ccc5c4cc21)oc1cc(N(c2ccc(-c4ccc5ccccc5c4)cc2)c2ccc4oc5ccccc5c4c2)ccc13
• InChI: InChI=1S/C83H52N2O4/c1-83(2)73-45-71-65-35-31-61(84(59-33-37-77-69(41-59)63-15-7-9-17-75(63)86-77)57-27-23-51(24-28-57)55-21-19-49-11-3-5-13-53(49)39-55)43-79(65)88-81(71)47-67(73)68-48-82-72(46-74(68)83)66-36-32-62(44-80(66)89-82)85(60-34-38-78-70(42-60)64-16-8-10-18-76(64)87-78)58-29-25-52(26-30-58)56-22-20-50-12-4-6-14-54(50)40-56/h3-48H,1-2H3
• InChIKey: SZPTWBQWSSXOPT-UHFFFAOYSA-N
• XLogP: 24.17
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.34
LogP ≤ 5	24.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?

The IUPAC name of 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine (CID 163982454) is 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine.

What is the SMILES notation for 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?

The canonical SMILES for 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is CC1(C)c2cc3c(cc2-c2cc4oc5cc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc7oc8ccccc8c7c6)ccc5c4cc21)oc1cc(N(c2ccc(-c4ccc5ccccc5c4)cc2)c2ccc4oc5ccccc5c4c2)ccc13.

What is the InChIKey of 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?

The InChIKey is SZPTWBQWSSXOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H52N2O4/c1-83(2)73-45-71-65-35-31-61(84(59-33-37-77-69(41-59)63-15-7-9-17-75(63)86-77)57-27-23-51(24-28-57)55-21-19-49-11-3-5-13-53(49)39-55)43-79(65)88-81(71)47-67(73)68-48-82-72(46-74(68)83)66-36-32-62(44-80(66)89-82)85(60-34-38-78-70(42-60)64-16-8-10-18-76(64)87-78)58-29-25-52(26-30-58)56-22-20-50-12-4-6-14-54(50)40-56/h3-48H,1-2H3.

What are the key properties of 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine?

8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine has a molecular weight of 1141.34 g/mol, XLogP of 24.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,22-N-di(dibenzofuran-2-yl)-15,15-dimethyl-8-N,22-N-bis(4-naphthalen-2-ylphenyl)-5,25-dioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine is sourced from PubChem (CID 163982454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).