5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene

C37H24N4S — CID 142405077

About 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene

5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene (PubChem CID 142405077) has the molecular formula C37H24N4S and a molecular weight of 556.69 g/mol. Its IUPAC name is 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene.

Molecular Properties

• Compound Name: 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
• PubChem CID: 142405077
• Molecular Formula: C37H24N4S
• Molecular Weight: 556.69 g/mol
• Exact Mass: 556.17
• IUPAC Name: 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene
• SMILES: c1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)-c3cccc4cccc(c34)S5)N=C(c3ccccc3)N2)cc1
• InChI: InChI=1S/C37H24N4S/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)41-30-19-8-7-17-26(30)28-22-33-29(21-31(28)41)27-18-9-15-23-16-10-20-32(42-33)34(23)27/h1-22,37H,(H,38,39,40)
• InChIKey: GZOCCWUDZAHJBL-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 41.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.69
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene?

The IUPAC name of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene (CID 142405077) is 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene.

What is the SMILES notation for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene?

The canonical SMILES for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene is c1ccc(C2=NC(n3c4ccccc4c4cc5c(cc43)-c3cccc4cccc(c34)S5)N=C(c3ccccc3)N2)cc1.

What is the InChIKey of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene?

The InChIKey is GZOCCWUDZAHJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4S/c1-3-11-24(12-4-1)35-38-36(25-13-5-2-6-14-25)40-37(39-35)41-30-19-8-7-17-26(30)28-22-33-29(21-31(28)41)27-18-9-15-23-16-10-20-32(42-33)34(23)27/h1-22,37H,(H,38,39,40).

What are the key properties of 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene?

5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene has a molecular weight of 556.69 g/mol, XLogP of 9.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15-thia-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene is sourced from PubChem (CID 142405077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).