10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

C80H50N4O2 — CID 138745954

About 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (PubChem CID 138745954) has the molecular formula C80H50N4O2 and a molecular weight of 1099.31 g/mol. Its IUPAC name is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

Molecular Properties

• Compound Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
• PubChem CID: 138745954
• Molecular Formula: C80H50N4O2
• Molecular Weight: 1099.31 g/mol
• Exact Mass: 1098.39
• IUPAC Name: 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine
• SMILES: Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4ccccc4C)c4cccc6c4oc4ccccc46)cccc3n5c21
• InChI: InChI=1S/C80H50N4O2/c1-47-23-9-13-37-59(47)81(65-43-19-31-53-51-29-11-15-45-67(51)85-79(53)65)61-39-21-41-63-71(61)55-33-17-35-57-73-70(50-27-7-4-8-28-50)78-74(69(49-25-5-3-6-26-49)77(73)83(63)75(55)57)58-36-18-34-56-72-62(40-22-42-64(72)84(78)76(56)58)82(60-38-14-10-24-48(60)2)66-44-20-32-54-52-30-12-16-46-68(52)86-80(54)66/h3-46H,1-2H3
• InChIKey: JBUHZNPNIFZKQH-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-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The IUPAC name of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine (CID 138745954) is 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine.

What is the SMILES notation for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

The canonical SMILES for 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is Cc1ccccc1N(c1cccc2c1oc1ccccc12)c1cccc2c1c1cccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n2c13)c1cccc2c3c(N(c4ccccc4C)c4cccc6c4oc4ccccc46)cccc3n5c21.

What is the InChIKey of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

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

What are the key properties of 10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine?

10-N,25-N-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-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-di(dibenzofuran-4-yl)-10-N,25-N-bis(2-methylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-10,25-diamine is sourced from PubChem (CID 138745954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).