10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

C80H50N4O2 — CID 138745580

About 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine

10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (PubChem CID 138745580) has the molecular formula C80H50N4O2 and a molecular weight of 1099.31 g/mol. Its IUPAC name is 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• PubChem CID: 138745580
• Molecular Formula: C80H50N4O2
• Molecular Weight: 1099.31 g/mol
• Exact Mass: 1098.39
• IUPAC Name: 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine
• SMILES: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cccc4c3c3cccc5c6cc7c(cc6n4c53)c3cccc4c5c(N(c6ccccc6)c6cccc8c6oc6c(-c9ccccc9C)cccc68)cccc5n7c34)cccc12
• InChI: InChI=1S/C80H50N4O2/c1-47-21-9-11-27-51(47)55-31-15-33-57-59-35-17-43-69(79(59)85-77(55)57)81(49-23-5-3-6-24-49)65-39-19-41-67-73(65)61-37-13-29-53-63-46-72-64(45-71(63)83(67)75(53)61)54-30-14-38-62-74-66(40-20-42-68(74)84(72)76(54)62)82(50-25-7-4-8-26-50)70-44-18-36-60-58-34-16-32-56(78(58)86-80(60)70)52-28-12-10-22-48(52)2/h3-46H,1-2H3
• InChIKey: UPEVSTLYWMIZDG-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1099.31
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine (CID 138745580) is 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccccc3)c3cccc4c3c3cccc5c6cc7c(cc6n4c53)c3cccc4c5c(N(c6ccccc6)c6cccc8c6oc6c(-c9ccccc9C)cccc68)cccc5n7c34)cccc12.

What is the InChIKey of 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

The InChIKey is UPEVSTLYWMIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H50N4O2/c1-47-21-9-11-27-51(47)55-31-15-33-57-59-35-17-43-69(79(59)85-77(55)57)81(49-23-5-3-6-24-49)65-39-19-41-67-73(65)61-37-13-29-53-63-46-72-64(45-71(63)83(67)75(53)61)54-30-14-38-62-74-66(40-20-42-68(74)84(72)76(54)62)82(50-25-7-4-8-26-50)70-44-18-36-60-58-34-16-32-56(78(58)86-80(60)70)52-28-12-10-22-48(52)2/h3-46H,1-2H3.

What are the key properties of 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine?

10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine has a molecular weight of 1099.31 g/mol, XLogP of 22.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-N,25-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]-10-N,25-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6(11),7,9,12,14,16(32),18,21(26),22,24,27,29-pentadecaene-10,25-diamine is sourced from PubChem (CID 138745580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).