3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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

C78H48N4O2 — CID 155199852

About 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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

3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 155199852) has the molecular formula C78H48N4O2 and a molecular weight of 1073.27 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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: 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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: 155199852
• Molecular Formula: C78H48N4O2
• Molecular Weight: 1073.27 g/mol
• Exact Mass: 1072.38
• IUPAC Name: 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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: C1=CC(c2c3c4cccc5c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(N(c9ccccc9)c9cccc%10oc%11ccccc%11c9%10)cc8n(c23)c76)c54)=CCC1
• InChI: InChI=1S/C78H48N4O2/c1-5-21-47(22-6-1)69-73-59-33-17-31-55-54-44-42-52(80(50-27-11-4-12-28-50)62-36-20-40-68-72(62)58-30-14-16-38-66(58)84-68)46-64(54)82(75(55)59)78(73)70(48-23-7-2-8-24-48)74-60-34-18-32-56-53-43-41-51(45-63(53)81(76(56)60)77(69)74)79(49-25-9-3-10-26-49)61-35-19-39-67-71(61)57-29-13-15-37-65(57)83-67/h1,3-7,9-46H,2,8H2
• InChIKey: XRUPAXCIIQPYNX-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.27
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 155199852) is 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 C1=CC(c2c3c4cccc5c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(N(c9ccccc9)c9cccc%10oc%11ccccc%11c9%10)cc8n(c23)c76)c54)=CCC1.

What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 XRUPAXCIIQPYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N4O2/c1-5-21-47(22-6-1)69-73-59-33-17-31-55-54-44-42-52(80(50-27-11-4-12-28-50)62-36-20-40-68-72(62)58-30-14-16-38-66(58)84-68)46-64(54)82(75(55)59)78(73)70(48-23-7-2-8-24-48)74-60-34-18-32-56-53-43-41-51(45-63(53)81(76(56)60)77(69)74)79(49-25-9-3-10-26-49)61-35-19-39-67-71(61)57-29-13-15-37-65(57)83-67/h1,3-7,9-46H,2,8H2.

What are the key properties of 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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?

3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 1073.27 g/mol, XLogP of 22.13, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexa-1,5-dien-1-yl-8-N,23-N-di(dibenzofuran-1-yl)-8-N,23-N,18-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 155199852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).