24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene

C52H34N4O — CID 145268651

About 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene

24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene (PubChem CID 145268651) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene.

Molecular Properties

• Compound Name: 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene
• PubChem CID: 145268651
• Molecular Formula: C52H34N4O
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.27
• IUPAC Name: 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene
• SMILES: C1=CC2C(c3ccccc3N2c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2c1c1c3c(ccc1n2-c1ccccc1)oc1ccccc13
• InChI: InChI=1S/C52H34N4O/c1-4-15-33(16-5-1)41-32-42(34-17-6-2-7-18-34)54-52(53-41)35-19-14-22-37(31-35)55-43-25-12-10-23-38(43)49-45(55)28-27-40-48-44(56(51(40)49)36-20-8-3-9-21-36)29-30-47-50(48)39-24-11-13-26-46(39)57-47/h1-32,45,49H
• InChIKey: NZEHBHSOTYGDMM-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene?

The IUPAC name of 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene (CID 145268651) is 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene.

What is the SMILES notation for 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene?

The canonical SMILES for 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene is C1=CC2C(c3ccccc3N2c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)c2c1c1c3c(ccc1n2-c1ccccc1)oc1ccccc13.

What is the InChIKey of 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene?

The InChIKey is NZEHBHSOTYGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-4-15-33(16-5-1)41-32-42(34-17-6-2-7-18-34)54-52(53-41)35-19-14-22-37(31-35)55-43-25-12-10-23-38(43)49-45(55)28-27-40-48-44(56(51(40)49)36-20-8-3-9-21-36)29-30-47-50(48)39-24-11-13-26-46(39)57-47/h1-32,45,49H.

What are the key properties of 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene?

24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene has a molecular weight of 730.87 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,18,20,22,26-undecaene is sourced from PubChem (CID 145268651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).