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

C81H52N4O2 — CID 146526388

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

23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine (PubChem CID 146526388) has the molecular formula C81H52N4O2 and a molecular weight of 1113.33 g/mol. Its IUPAC name is 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine.

Molecular Properties

• Compound Name: 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine
• PubChem CID: 146526388
• Molecular Formula: C81H52N4O2
• Molecular Weight: 1113.33 g/mol
• Exact Mass: 1112.41
• IUPAC Name: 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine
• SMILES: Cc1ccccc1N(c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C81H52N4O2/c1-47-21-10-14-34-64(47)82(66-36-20-31-60-56-27-12-16-37-69(56)86-80(60)66)52-40-43-54-58-29-18-32-62-73-72(51-25-8-5-9-26-51)79-74(71(50-23-6-4-7-24-50)78(73)84(76(58)62)67(54)45-52)63-33-19-30-59-55-44-41-53(46-68(55)85(79)77(59)63)83(65-35-15-11-22-48(65)2)75-49(3)39-42-61-57-28-13-17-38-70(57)87-81(61)75/h4-46H,1-3H3
• InChIKey: OFTGLVBLJOVTPO-UHFFFAOYSA-N
• XLogP: 22.98
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.33
LogP ≤ 5	22.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine (CID 146526388) is 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine.

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

The canonical SMILES for 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine is Cc1ccccc1N(c1ccc2c3cccc4c5c(-c6ccccc6)c6c(c(-c7ccccc7)c5n(c2c1)c34)c1cccc2c3ccc(N(c4ccccc4C)c4c(C)ccc5c4oc4ccccc45)cc3n6c21)c1cccc2c1oc1ccccc12.

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

The InChIKey is OFTGLVBLJOVTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N4O2/c1-47-21-10-14-34-64(47)82(66-36-20-31-60-56-27-12-16-37-69(56)86-80(60)66)52-40-43-54-58-29-18-32-62-73-72(51-25-8-5-9-26-51)79-74(71(50-23-6-4-7-24-50)78(73)84(76(58)62)67(54)45-52)63-33-19-30-59-55-44-41-53(46-68(55)85(79)77(59)63)83(65-35-15-11-22-48(65)2)75-49(3)39-42-61-57-28-13-17-38-70(57)87-81(61)75/h4-46H,1-3H3.

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

23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine has a molecular weight of 1113.33 g/mol, XLogP of 22.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 23-N-dibenzofuran-4-yl-8-N-(3-methyldibenzofuran-4-yl)-8-N,23-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-8,23-diamine is sourced from PubChem (CID 146526388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).