2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C195H127N15O3 — CID 159760308

About 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 159760308) has the molecular formula C195H127N15O3 and a molecular weight of 2728.26 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
• PubChem CID: 159760308
• Molecular Formula: C195H127N15O3
• Molecular Weight: 2728.26 g/mol
• Exact Mass: 2726.02
• IUPAC Name: 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
• SMILES: CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)cc21.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1
• InChI: InChI=1S/C68H45N5O.C65H41N5O.C62H41N5O/c1-68(2)57-28-12-11-26-54(57)63-55(27-15-29-58(63)68)67-72-65(45-32-30-43(31-33-45)42-16-5-3-6-17-42)71-66(73-67)52-25-14-23-47(37-52)46-22-13-24-50(36-46)59-41-60(70-64(69-59)44-18-7-4-8-19-44)51-34-35-53-56-38-48-20-9-10-21-49(48)39-62(56)74-61(53)40-51;1-4-16-42(17-5-1)45-24-13-29-53(35-45)63-68-64(54-30-14-25-46(36-54)43-18-6-2-7-19-43)70-65(69-63)55-31-15-27-48(37-55)47-26-12-28-51(34-47)58-41-59(67-62(66-58)44-20-8-3-9-21-44)52-32-33-56-57-38-49-22-10-11-23-50(49)39-61(57)71-60(56)40-52;1-62(2)52-26-12-11-25-48(52)49-29-28-47(34-53(49)62)61-66-59(39-17-7-4-8-18-39)65-60(67-61)46-24-14-22-41(32-46)40-21-13-23-44(31-40)54-37-55(64-58(63-54)38-15-5-3-6-16-38)45-27-30-50-51-33-42-19-9-10-20-43(42)35-57(51)68-56(50)36-45/h3-41H,1-2H3;1-41H;3-37H,1-2H3
• InChIKey: NEUDECMHWFKLEM-UHFFFAOYSA-N
• XLogP: 49.76
• TPSA: 232.77 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2728.26
LogP ≤ 5	49.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 159760308) is 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)cccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)cc21.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6cc(-c7ccc8c(c7)oc7cc9ccccc9cc78)nc(-c7ccccc7)n6)c5)c4)n3)c2)cc1.

What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

The InChIKey is NEUDECMHWFKLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N5O.C65H41N5O.C62H41N5O/c1-68(2)57-28-12-11-26-54(57)63-55(27-15-29-58(63)68)67-72-65(45-32-30-43(31-33-45)42-16-5-3-6-17-42)71-66(73-67)52-25-14-23-47(37-52)46-22-13-24-50(36-46)59-41-60(70-64(69-59)44-18-7-4-8-19-44)51-34-35-53-56-38-48-20-9-10-21-49(48)39-62(56)74-61(53)40-51;1-4-16-42(17-5-1)45-24-13-29-53(35-45)63-68-64(54-30-14-25-46(36-54)43-18-6-2-7-19-43)70-65(69-63)55-31-15-27-48(37-55)47-26-12-28-51(34-47)58-41-59(67-62(66-58)44-20-8-3-9-21-44)52-32-33-56-57-38-49-22-10-11-23-50(49)39-61(57)71-60(56)40-52;1-62(2)52-26-12-11-25-48(52)49-29-28-47(34-53(49)62)61-66-59(39-17-7-4-8-18-39)65-60(67-61)46-24-14-22-41(32-46)40-21-13-23-44(31-40)54-37-55(64-58(63-54)38-15-5-3-6-16-38)45-27-30-50-51-33-42-19-9-10-20-43(42)35-57(51)68-56(50)36-45/h3-41H,1-2H3;1-41H;3-37H,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?

2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 2728.26 g/mol, XLogP of 49.76, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-4-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 159760308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).