24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C64H40N4O — CID 146280335

About 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 146280335) has the molecular formula C64H40N4O and a molecular weight of 881.05 g/mol. Its IUPAC name is 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 146280335
• Molecular Formula: C64H40N4O
• Molecular Weight: 881.05 g/mol
• Exact Mass: 880.32
• IUPAC Name: 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C64H40N4O/c1-6-20-41(21-7-1)51-38-45(54-40-53(43-24-10-3-11-25-43)65-64(66-54)44-26-12-4-13-27-44)39-52(42-22-8-2-9-23-42)61(51)68-56-33-19-17-31-49(56)59-57(68)36-34-50-60-58(69-63(50)59)37-35-48-47-30-16-18-32-55(47)67(62(48)60)46-28-14-5-15-29-46/h1-40H
• InChIKey: NHDGFOWAXNITLJ-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.05
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 146280335) is 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2cc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5c6oc7ccc8c9ccccc9n(-c9ccccc9)c8c7c6ccc54)c(-c4ccccc4)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is NHDGFOWAXNITLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O/c1-6-20-41(21-7-1)51-38-45(54-40-53(43-24-10-3-11-25-43)65-64(66-54)44-26-12-4-13-27-44)39-52(42-22-8-2-9-23-42)61(51)68-56-33-19-17-31-49(56)59-57(68)36-34-50-60-58(69-63(50)59)37-35-48-47-30-16-18-32-55(47)67(62(48)60)46-28-14-5-15-29-46/h1-40H.

What are the key properties of 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 881.05 g/mol, XLogP of 16.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 146280335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).