8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine

C69H44N4O2 — CID 138745531

About 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine

8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine (PubChem CID 138745531) has the molecular formula C69H44N4O2 and a molecular weight of 961.14 g/mol. Its IUPAC name is 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine
• PubChem CID: 138745531
• Molecular Formula: C69H44N4O2
• Molecular Weight: 961.14 g/mol
• Exact Mass: 960.35
• IUPAC Name: 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine
• SMILES: Cc1ccccc1N(c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C69H44N4O2/c1-39-15-4-8-24-56(39)70(58-26-14-23-52-46-17-6-10-27-63(46)74-68(52)58)42-30-33-44-48-19-12-21-50-54-38-62-55(37-61(54)72(66(48)50)59(44)35-42)51-22-13-20-49-45-34-31-43(36-60(45)73(62)67(49)51)71(57-25-9-5-16-40(57)2)65-41(3)29-32-53-47-18-7-11-28-64(47)75-69(53)65/h4-38H,1-3H3
• InChIKey: YXGWGHODMOVHSW-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	961.14
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine?

The IUPAC name of 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine (CID 138745531) is 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine.

What is the SMILES notation for 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine?

The canonical SMILES for 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine is Cc1ccccc1N(c1ccc2c3cccc4c5cc6c(cc5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1cccc2c1oc1ccccc12.

What is the InChIKey of 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine?

The InChIKey is YXGWGHODMOVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44N4O2/c1-39-15-4-8-24-56(39)70(58-26-14-23-52-46-17-6-10-27-63(46)74-68(52)58)42-30-33-44-48-19-12-21-50-54-38-62-55(37-61(54)72(66(48)50)59(44)35-42)51-22-13-20-49-45-34-31-43(36-60(45)73(62)67(49)51)71(57-25-9-5-16-40(57)2)65-41(3)29-32-53-47-18-7-11-28-64(47)75-69(53)65/h4-38H,1-3H3.

What are the key properties of 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine?

8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine has a molecular weight of 961.14 g/mol, XLogP of 19.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-dibenzofuran-4-yl-23-N-(3-methyldibenzofuran-4-yl)-8-N,23-N-bis(2-methylphenyl)-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-8,23-diamine is sourced from PubChem (CID 138745531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).