8-N,23-N-di(dibenzofuran-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

C68H48N2O4 — CID 155360838

About 8-N,23-N-di(dibenzofuran-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-di(dibenzofuran-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 155360838) has the molecular formula C68H48N2O4 and a molecular weight of 957.14 g/mol. Its IUPAC name is 8-N,23-N-di(dibenzofuran-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-di(dibenzofuran-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: 155360838
• Molecular Formula: C68H48N2O4
• Molecular Weight: 957.14 g/mol
• Exact Mass: 956.36
• IUPAC Name: 8-N,23-N-di(dibenzofuran-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%11ccccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4ccccc4c3c2)cc1
• InChI: InChI=1S/C68H48N2O4/c1-39(2)41-13-19-45(20-14-41)69(49-25-33-63-59(37-49)53-9-5-7-11-61(53)71-63)47-23-29-51-43(35-47)17-27-55-57-31-32-58-56-28-18-44-36-48(24-30-52(44)66(56)74-68(58)67(57)73-65(51)55)70(46-21-15-42(16-22-46)40(3)4)50-26-34-64-60(38-50)54-10-6-8-12-62(54)72-64/h5-40H,1-4H3
• InChIKey: JJSQLIKIYLDCKM-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.14
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N-di(dibenzofuran-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-di(dibenzofuran-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 155360838) is 8-N,23-N-di(dibenzofuran-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-di(dibenzofuran-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-di(dibenzofuran-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%11ccccc%11c%10c9)ccc8c7oc6c5oc34)c2)c2ccc3oc4ccccc4c3c2)cc1.

What is the InChIKey of 8-N,23-N-di(dibenzofuran-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 JJSQLIKIYLDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2O4/c1-39(2)41-13-19-45(20-14-41)69(49-25-33-63-59(37-49)53-9-5-7-11-61(53)71-63)47-23-29-51-43(35-47)17-27-55-57-31-32-58-56-28-18-44-36-48(24-30-52(44)66(56)74-68(58)67(57)73-65(51)55)70(46-21-15-42(16-22-46)40(3)4)50-26-34-64-60(38-50)54-10-6-8-12-62(54)72-64/h5-40H,1-4H3.

What are the key properties of 8-N,23-N-di(dibenzofuran-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-di(dibenzofuran-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 957.14 g/mol, XLogP of 20.78, 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-di(dibenzofuran-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 155360838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).