26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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

C51H31N5S — CID 118242979

About 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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 118242979) has the molecular formula C51H31N5S and a molecular weight of 745.91 g/mol. Its IUPAC name is 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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: 118242979
• Molecular Formula: C51H31N5S
• Molecular Weight: 745.91 g/mol
• Exact Mass: 745.23
• IUPAC Name: 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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(-c2cccc(-n3c4ccccc4c4c5c(ccc43)sc3ccc4c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4c35)c2)cc1
• InChI: InChI=1S/C51H31N5S/c1-4-15-32(16-5-1)35-21-14-22-36(31-35)55-41-26-13-11-24-39(41)45-42(55)28-30-43-46(45)47-44(57-43)29-27-38-37-23-10-12-25-40(37)56(48(38)47)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34/h1-31H
• InChIKey: IHARVPXDEHNJNT-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.91
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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 118242979) is 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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(-c2cccc(-n3c4ccccc4c4c5c(ccc43)sc3ccc4c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c4c35)c2)cc1.

What is the InChIKey of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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 IHARVPXDEHNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S/c1-4-15-32(16-5-1)35-21-14-22-36(31-35)55-41-26-13-11-24-39(41)45-42(55)28-30-43-46(45)47-44(57-43)29-27-38-37-23-10-12-25-40(37)56(48(38)47)51-53-49(33-17-6-2-7-18-33)52-50(54-51)34-19-8-3-9-20-34/h1-31H.

What are the key properties of 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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-diphenyl-1,3,5-triazin-2-yl)-10-(3-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 745.91 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-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 118242979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).