8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C72H42N4O2 — CID 146527434

About 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 146527434) has the molecular formula C72H42N4O2 and a molecular weight of 995.15 g/mol. Its IUPAC name is 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 146527434
• Molecular Formula: C72H42N4O2
• Molecular Weight: 995.15 g/mol
• Exact Mass: 994.33
• IUPAC Name: 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: c1ccc(-c2c3c4cccc5c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6n(c3cc3c6cccc7c8ccc(N(c9ccccc9)c9ccc%10oc%11ccccc%11c%10c9)cc8n(c23)c76)c54)cc1
• InChI: InChI=1S/C72H42N4O2/c1-4-16-43(17-5-1)68-69-57-27-15-25-55-50-34-30-48(73(44-18-6-2-7-19-44)46-32-36-66-58(38-46)52-22-10-12-28-64(52)77-66)40-61(50)75(71(55)57)63(69)42-60-56-26-14-24-54-51-35-31-49(41-62(51)76(70(54)56)72(60)68)74(45-20-8-3-9-21-45)47-33-37-67-59(39-47)53-23-11-13-29-65(53)78-67/h1-42H
• InChIKey: FUACPYPHGSCJRN-UHFFFAOYSA-N
• XLogP: 20.39
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.15
LogP ≤ 5	20.39
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,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 146527434) is 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is c1ccc(-c2c3c4cccc5c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6n(c3cc3c6cccc7c8ccc(N(c9ccccc9)c9ccc%10oc%11ccccc%11c%10c9)cc8n(c23)c76)c54)cc1.

What is the InChIKey of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is FUACPYPHGSCJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H42N4O2/c1-4-16-43(17-5-1)68-69-57-27-15-25-55-50-34-30-48(73(44-18-6-2-7-19-44)46-32-36-66-58(38-46)52-22-10-12-28-64(52)77-66)40-61(50)75(71(55)57)63(69)42-60-56-26-14-24-54-51-35-31-49(41-62(51)76(70(54)56)72(60)68)74(45-20-8-3-9-21-45)47-33-37-67-59(39-47)53-23-11-13-29-65(53)78-67/h1-42H.

What are the key properties of 8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 995.15 g/mol, XLogP of 20.39, 7 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,3-triphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 146527434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).