2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine

C200H116N12O8S4 — CID 167581841

About 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (PubChem CID 167581841) has the molecular formula C200H116N12O8S4 and a molecular weight of 2943.47 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
• PubChem CID: 167581841
• Molecular Formula: C200H116N12O8S4
• Molecular Weight: 2943.47 g/mol
• Exact Mass: 2940.79
• IUPAC Name: 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5=C(Oc6ccccc6O5)c5c4sc4ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(C6=C(Oc7ccccc7O6)c6c4sc4ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C54C5=C(Oc6ccccc6O5)c5c4sc4ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4C4(C6=C(Oc7ccccc7O6)c6c4sc4ccccc64)c4ccccc4-5)cc3)n2)cc1
• InChI: InChI=1S/4C50H29N3O2S/c1-3-14-31(15-4-1)47-51-48(32-16-5-2-6-17-32)53-49(52-47)33-28-26-30(27-29-33)34-20-13-21-36-35-18-7-9-22-38(35)50(43(34)36)45-44(54-39-23-10-11-24-40(39)55-45)42-37-19-8-12-25-41(37)56-46(42)50;1-3-14-31(15-4-1)47-51-48(32-16-5-2-6-17-32)53-49(52-47)33-28-26-30(27-29-33)34-20-13-22-38-42(34)35-18-7-9-21-37(35)50(38)45-44(54-39-23-10-11-24-40(39)55-45)43-36-19-8-12-25-41(36)56-46(43)50;1-3-13-31(14-4-1)47-51-48(32-15-5-2-6-16-32)53-49(52-47)33-25-23-30(24-26-33)34-27-28-36-35-17-7-9-19-38(35)50(39(36)29-34)45-44(54-40-20-10-11-21-41(40)55-45)43-37-18-8-12-22-42(37)56-46(43)50;1-3-13-31(14-4-1)47-51-48(32-15-5-2-6-16-32)53-49(52-47)33-25-23-30(24-26-33)34-27-28-39-37(29-34)35-17-7-9-19-38(35)50(39)45-44(54-40-20-10-11-21-41(40)55-45)43-36-18-8-12-22-42(36)56-46(43)50/h4*1-29H
• InChIKey: HGTRSQCNSLEDOP-UHFFFAOYSA-N
• XLogP: 48.89
• TPSA: 228.52 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2943.47
LogP ≤ 5	48.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?

The IUPAC name of 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine (CID 167581841) is 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5=C(Oc6ccccc6O5)c5c4sc4ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(C6=C(Oc7ccccc7O6)c6c4sc4ccccc64)c4ccccc4-5)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4-c4ccccc4C54C5=C(Oc6ccccc6O5)c5c4sc4ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4C4(C6=C(Oc7ccccc7O6)c6c4sc4ccccc64)c4ccccc4-5)cc3)n2)cc1.

What is the InChIKey of 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?

The InChIKey is HGTRSQCNSLEDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H29N3O2S/c1-3-14-31(15-4-1)47-51-48(32-16-5-2-6-17-32)53-49(52-47)33-28-26-30(27-29-33)34-20-13-21-36-35-18-7-9-22-38(35)50(43(34)36)45-44(54-39-23-10-11-24-40(39)55-45)42-37-19-8-12-25-41(37)56-46(42)50;1-3-14-31(15-4-1)47-51-48(32-16-5-2-6-17-32)53-49(52-47)33-28-26-30(27-29-33)34-20-13-22-38-42(34)35-18-7-9-21-37(35)50(38)45-44(54-39-23-10-11-24-40(39)55-45)43-36-19-8-12-25-41(36)56-46(43)50;1-3-13-31(14-4-1)47-51-48(32-15-5-2-6-16-32)53-49(52-47)33-25-23-30(24-26-33)34-27-28-36-35-17-7-9-19-38(35)50(39(36)29-34)45-44(54-40-20-10-11-21-41(40)55-45)43-37-18-8-12-22-42(37)56-46(43)50;1-3-13-31(14-4-1)47-51-48(32-15-5-2-6-16-32)53-49(52-47)33-25-23-30(24-26-33)34-27-28-39-37(29-34)35-17-7-9-19-38(35)50(39)45-44(54-40-20-10-11-21-41(40)55-45)43-36-18-8-12-22-42(36)56-46(43)50/h4*1-29H.

What are the key properties of 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine?

2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine has a molecular weight of 2943.47 g/mol, XLogP of 48.89, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(4-spiro[13,20-dioxa-9-thiapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167581841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).