26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C52H32N4S — CID 118242933

About 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 118242933) has the molecular formula C52H32N4S and a molecular weight of 744.92 g/mol. Its IUPAC name is 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 118242933
• Molecular Formula: C52H32N4S
• Molecular Weight: 744.92 g/mol
• Exact Mass: 744.23
• IUPAC Name: 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)sc3ccc4c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c4c35)cc2)cc1
• InChI: InChI=1S/C52H32N4S/c1-4-14-33(15-5-1)34-24-26-37(27-25-34)55-44-23-13-11-21-40(44)48-45(55)29-31-46-49(48)50-47(57-46)30-28-39-38-20-10-12-22-43(38)56(51(39)50)52-53-41(35-16-6-2-7-17-35)32-42(54-52)36-18-8-3-9-19-36/h1-32H
• InChIKey: IIRQCUYOMKOOCE-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 35.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	744.92
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 118242933) is 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)sc3ccc4c6ccccc6n(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c4c35)cc2)cc1.

What is the InChIKey of 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The InChIKey is IIRQCUYOMKOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4S/c1-4-14-33(15-5-1)34-24-26-37(27-25-34)55-44-23-13-11-21-40(44)48-45(55)29-31-46-49(48)50-47(57-46)30-28-39-38-20-10-12-22-43(38)56(51(39)50)52-53-41(35-16-6-2-7-17-35)32-42(54-52)36-18-8-3-9-19-36/h1-32H.

What are the key properties of 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene has a molecular weight of 744.92 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(4,6-diphenylpyrimidin-2-yl)-10-(4-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 118242933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).