15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

C46H30N4O — CID 137095933

About 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (PubChem CID 137095933) has the molecular formula C46H30N4O and a molecular weight of 654.77 g/mol. Its IUPAC name is 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• PubChem CID: 137095933
• Molecular Formula: C46H30N4O
• Molecular Weight: 654.77 g/mol
• Exact Mass: 654.24
• IUPAC Name: 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
• SMILES: C1=C(c2ccccc2)N=C(n2c3c(ccc4oc5ccccc5c43)c3ccc4c(c5ccccc5n4-c4ccccc4)c32)NC1c1ccccc1
• InChI: InChI=1S/C46H30N4O/c1-4-14-29(15-5-1)36-28-37(30-16-6-2-7-17-30)48-46(47-36)50-44-32(33-25-27-41-43(45(33)50)35-21-11-13-23-40(35)51-41)24-26-39-42(44)34-20-10-12-22-38(34)49(39)31-18-8-3-9-19-31/h1-28,36H,(H,47,48)
• InChIKey: IFCAXXYDTXACEL-UHFFFAOYSA-N
• XLogP: 11.38
• TPSA: 47.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.77
LogP ≤ 5	11.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The IUPAC name of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene (CID 137095933) is 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is C1=C(c2ccccc2)N=C(n2c3c(ccc4oc5ccccc5c43)c3ccc4c(c5ccccc5n4-c4ccccc4)c32)NC1c1ccccc1.

What is the InChIKey of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

The InChIKey is IFCAXXYDTXACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4O/c1-4-14-29(15-5-1)36-28-37(30-16-6-2-7-17-30)48-46(47-36)50-44-32(33-25-27-41-43(45(33)50)35-21-11-13-23-40(35)51-41)24-26-39-42(44)34-20-10-12-22-38(34)49(39)31-18-8-3-9-19-31/h1-28,36H,(H,47,48).

What are the key properties of 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene?

15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene has a molecular weight of 654.77 g/mol, XLogP of 11.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 137095933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).