9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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

C72H56N2O4 — CID 155360264

About 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 155360264) has the molecular formula C72H56N2O4 and a molecular weight of 1013.25 g/mol. Its IUPAC name is 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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: 155360264
• Molecular Formula: C72H56N2O4
• Molecular Weight: 1013.25 g/mol
• Exact Mass: 1012.42
• IUPAC Name: 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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: Cc1ccc(N(c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C)cc5)c5ccc7oc8c(C(C)(C)C)cccc8c7c5)cc4ccc63)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1
• InChI: InChI=1S/C72H56N2O4/c1-41-15-21-45(22-16-41)73(49-27-33-63-57(37-49)53-11-9-13-61(69(53)75-63)71(3,4)5)47-25-31-51-43(35-47)19-29-55-59-39-60-56-30-20-44-36-48(26-32-52(44)68(56)78-66(60)40-65(59)77-67(51)55)74(46-23-17-42(2)18-24-46)50-28-34-64-58(38-50)54-12-10-14-62(70(54)76-64)72(6,7)8/h9-40H,1-8H3
• InChIKey: PERSJQFPAQXGTH-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.25
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 155360264) is 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 Cc1ccc(N(c2ccc3c(ccc4c5cc6c(cc5oc34)oc3c4ccc(N(c5ccc(C)cc5)c5ccc7oc8c(C(C)(C)C)cccc8c7c5)cc4ccc63)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1.

What is the InChIKey of 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 PERSJQFPAQXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2O4/c1-41-15-21-45(22-16-41)73(49-27-33-63-57(37-49)53-11-9-13-61(69(53)75-63)71(3,4)5)47-25-31-51-43(35-47)19-29-55-59-39-60-56-30-20-44-36-48(26-32-52(44)68(56)78-66(60)40-65(59)77-67(51)55)74(46-23-17-42(2)18-24-46)50-28-34-64-58(38-50)54-12-10-14-62(70(54)76-64)72(6,7)8/h9-40H,1-8H3.

What are the key properties of 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 1013.25 g/mol, XLogP of 21.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-9-N,23-N-bis(4-methylphenyl)-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 155360264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).