8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

C76H64N2O4 — CID 155361523

About 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine

8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (PubChem CID 155361523) has the molecular formula C76H64N2O4 and a molecular weight of 1069.36 g/mol. Its IUPAC name is 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• PubChem CID: 155361523
• Molecular Formula: C76H64N2O4
• Molecular Weight: 1069.36 g/mol
• Exact Mass: 1068.49
• IUPAC Name: 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
• SMILES: CC(C)c1ccc(N(c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C(C)C)cc9)c9ccc%10oc%11c(C(C)(C)C)cccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1
• InChI: InChI=1S/C76H64N2O4/c1-43(2)45-17-23-49(24-18-45)77(53-29-37-67-63(41-53)57-13-11-15-65(71(57)79-67)75(5,6)7)51-27-33-55-47(39-51)21-31-59-61-35-36-62-60-32-22-48-40-52(28-34-56(48)70(60)82-74(62)73(61)81-69(55)59)78(50-25-19-46(20-26-50)44(3)4)54-30-38-68-64(42-54)58-14-12-16-66(72(58)80-68)76(8,9)10/h11-44H,1-10H3
• InChIKey: GKOROCRDTAUOEW-UHFFFAOYSA-N
• XLogP: 23.37
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1069.36
LogP ≤ 5	23.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine (CID 155361523) is 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is CC(C)c1ccc(N(c2ccc3c(ccc4c5ccc6c7ccc8cc(N(c9ccc(C(C)C)cc9)c9ccc%10oc%11c(C(C)(C)C)cccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4c(C(C)(C)C)cccc4c3c2)cc1.

What is the InChIKey of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

The InChIKey is GKOROCRDTAUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H64N2O4/c1-43(2)45-17-23-49(24-18-45)77(53-29-37-67-63(41-53)57-13-11-15-65(71(57)79-67)75(5,6)7)51-27-33-55-47(39-51)21-31-59-61-35-36-62-60-32-22-48-40-52(28-34-56(48)70(60)82-74(62)73(61)81-69(55)59)78(50-25-19-46(20-26-50)44(3)4)54-30-38-68-64(42-54)58-14-12-16-66(72(58)80-68)76(8,9)10/h11-44H,1-10H3.

What are the key properties of 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine?

8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine has a molecular weight of 1069.36 g/mol, XLogP of 23.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N-bis(6-tert-butyldibenzofuran-2-yl)-8-N,23-N-bis(4-propan-2-ylphenyl)-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine is sourced from PubChem (CID 155361523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).