8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C189H112N18 — CID 162248654

About 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 162248654) has the molecular formula C189H112N18 and a molecular weight of 2635.10 g/mol. Its IUPAC name is 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 162248654
• Molecular Formula: C189H112N18
• Molecular Weight: 2635.10 g/mol
• Exact Mass: 2632.93
• IUPAC Name: 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-n5c6ncccc6c6cccnc65)n4)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3nc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc21
• InChI: InChI=1S/2C63H36N6.C63H40N6/c1-7-27-47-37(17-1)38-18-2-8-28-48(38)62(47)51-31-11-5-21-43(51)55-45(23-13-33-53(55)62)57-66-58(68-61(67-57)69-59-41(25-15-35-64-59)42-26-16-36-65-60(42)69)46-24-14-34-54-56(46)44-22-6-12-32-52(44)63(54)49-29-9-3-19-39(49)40-20-4-10-30-50(40)63;1-7-23-49-39(15-1)40-16-2-8-24-50(40)62(49)53-27-11-5-19-43(53)47-35-37(29-31-55(47)62)57-66-58(68-61(67-57)69-59-45(21-13-33-64-59)46-22-14-34-65-60(46)69)38-30-32-56-48(36-38)44-20-6-12-28-54(44)63(56)51-25-9-3-17-41(51)42-18-4-10-26-52(42)63;1-5-19-43(20-6-1)62(44-21-7-2-8-22-44)53-31-15-13-27-47(53)49-35-33-41(39-55(49)62)57-66-58(68-61(67-57)69-59-51(29-17-37-64-59)52-30-18-38-65-60(52)69)42-34-36-50-48-28-14-16-32-54(48)63(56(50)40-42,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h2*1-36H;1-40H
• InChIKey: ZXRMNGQJCSYJAH-UHFFFAOYSA-N
• XLogP: 41.38
• TPSA: 208.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2635.10
LogP ≤ 5	41.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 162248654) is 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)nc(-n5c6ncccc6c6cccnc65)n4)cc32)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc(-c3nc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)nc(-n4c5ncccc5c5cccnc54)n3)ccc21.

What is the InChIKey of 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is ZXRMNGQJCSYJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H36N6.C63H40N6/c1-7-27-47-37(17-1)38-18-2-8-28-48(38)62(47)51-31-11-5-21-43(51)55-45(23-13-33-53(55)62)57-66-58(68-61(67-57)69-59-41(25-15-35-64-59)42-26-16-36-65-60(42)69)46-24-14-34-54-56(46)44-22-6-12-32-52(44)63(54)49-29-9-3-19-39(49)40-20-4-10-30-50(40)63;1-7-23-49-39(15-1)40-16-2-8-24-50(40)62(49)53-27-11-5-19-43(53)47-35-37(29-31-55(47)62)57-66-58(68-61(67-57)69-59-45(21-13-33-64-59)46-22-14-34-65-60(46)69)38-30-32-56-48(36-38)44-20-6-12-28-54(44)63(56)51-25-9-3-17-41(51)42-18-4-10-26-52(42)63;1-5-19-43(20-6-1)62(44-21-7-2-8-22-44)53-31-15-13-27-47(53)49-35-33-41(39-55(49)62)57-66-58(68-61(67-57)69-59-51(29-17-37-64-59)52-30-18-38-65-60(52)69)42-34-36-50-48-28-14-16-32-54(48)63(56(50)40-42,45-23-9-3-10-24-45)46-25-11-4-12-26-46/h2*1-36H;1-40H.

What are the key properties of 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2635.10 g/mol, XLogP of 41.38, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4,6-bis(9,9-diphenylfluoren-2-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[4,6-bis(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 162248654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).