23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene

C73H48N4O — CID 171460111

About 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene

23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene (PubChem CID 171460111) has the molecular formula C73H48N4O and a molecular weight of 997.21 g/mol. Its IUPAC name is 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene
• PubChem CID: 171460111
• Molecular Formula: C73H48N4O
• Molecular Weight: 997.21 g/mol
• Exact Mass: 996.38
• IUPAC Name: 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene
• SMILES: Cc1ccc2c3cccc4c5ccc(Oc6ccc7c(c6)N6CN(c8c(-c9ccccc9)cccc8-c8ccccc8)c8cccc(c86)-c6ccccc6-7)cc5n(c5ncccc5c5ccccc5c2c1-c1ccccc1)c34
• InChI: InChI=1S/C73H48N4O/c1-46-36-39-60-63-32-16-31-62-58-41-38-51(44-67(58)77(71(62)63)73-64(34-18-42-74-73)56-27-13-14-28-59(56)69(60)68(46)49-23-9-4-10-24-49)78-50-37-40-57-54-25-11-12-26-55(54)61-33-17-35-65-72(61)76(66(57)43-50)45-75(65)70-52(47-19-5-2-6-20-47)29-15-30-53(70)48-21-7-3-8-22-48/h2-44H,45H2,1H3
• InChIKey: NVEODOSXWUZIQI-UHFFFAOYSA-N
• XLogP: 19.66
• TPSA: 33.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.21
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene?

The IUPAC name of 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene (CID 171460111) is 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene.

What is the SMILES notation for 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene?

The canonical SMILES for 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene is Cc1ccc2c3cccc4c5ccc(Oc6ccc7c(c6)N6CN(c8c(-c9ccccc9)cccc8-c8ccccc8)c8cccc(c86)-c6ccccc6-7)cc5n(c5ncccc5c5ccccc5c2c1-c1ccccc1)c34.

What is the InChIKey of 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene?

The InChIKey is NVEODOSXWUZIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N4O/c1-46-36-39-60-63-32-16-31-62-58-41-38-51(44-67(58)77(71(62)63)73-64(34-18-42-74-73)56-27-13-14-28-59(56)69(60)68(46)49-23-9-4-10-24-49)78-50-37-40-57-54-25-11-12-26-55(54)61-33-17-35-65-72(61)76(66(57)43-50)45-75(65)70-52(47-19-5-2-6-20-47)29-15-30-53(70)48-21-7-3-8-22-48/h2-44H,45H2,1H3.

What are the key properties of 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene?

23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene has a molecular weight of 997.21 g/mol, XLogP of 19.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 23-[[16-(2,6-diphenylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8(13),9,11,17,19-nonaen-11-yl]oxy]-5-methyl-6-phenyl-18,20-diazaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14(19),15,17,21(26),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 171460111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).