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

C189H135N15 — CID 158946887

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/2C64H45N5.C61H45N5/c1-64(2)56-33-13-12-32-54(56)55-40-50(34-35-57(55)64)59-41-58(65-60(66-59)44-22-10-5-11-23-44)49-28-14-26-47(36-49)48-27-17-31-53(39-48)63-68-61(51-29-15-24-45(37-51)42-18-6-3-7-19-42)67-62(69-63)52-30-16-25-46(38-52)43-20-8-4-9-21-43;1-64(2)56-27-13-12-26-54(56)55-40-52(36-37-57(55)64)59-41-58(65-60(66-59)46-20-10-5-11-21-46)51-24-14-22-49(38-51)50-23-15-25-53(39-50)63-68-61(47-32-28-44(29-33-47)42-16-6-3-7-17-42)67-62(69-63)48-34-30-45(31-35-48)43-18-8-4-9-19-43;1-60(2)51-28-14-12-26-47(51)49-35-43(30-32-52(49)60)55-37-54(62-56(63-55)38-17-7-5-8-18-38)42-23-15-21-40(33-42)41-22-16-24-44(34-41)58-64-57(39-19-9-6-10-20-39)65-59(66-58)45-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-45/h2*3-41H,1-2H3;5-37H,1-4H3
InChIKeyJKXXDFYNJZXMMP-UHFFFAOYSA-N
MW2616.26 g/mol
LogP46.88
Rot. Bonds25

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

2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158946887) has the molecular formula C189H135N15 and a molecular weight of 2616.26 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID158946887
Molecular FormulaC189H135N15
Molecular Weight2616.26 g/mol
Exact Mass2614.10
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)c4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/2C64H45N5.C61H45N5/c1-64(2)56-33-13-12-32-54(56)55-40-50(34-35-57(55)64)59-41-58(65-60(66-59)44-22-10-5-11-23-44)49-28-14-26-47(36-49)48-27-17-31-53(39-48)63-68-61(51-29-15-24-45(37-51)42-18-6-3-7-19-42)67-62(69-63)52-30-16-25-46(38-52)43-20-8-4-9-21-43;1-64(2)56-27-13-12-26-54(56)55-40-52(36-37-57(55)64)59-41-58(65-60(66-59)46-20-10-5-11-21-46)51-24-14-22-49(38-51)50-23-15-25-53(39-50)63-68-61(47-32-28-44(29-33-47)42-16-6-3-7-17-42)67-62(69-63)48-34-30-45(31-35-48)43-18-8-4-9-19-43;1-60(2)51-28-14-12-26-47(51)49-35-43(30-32-52(49)60)55-37-54(62-56(63-55)38-17-7-5-8-18-38)42-23-15-21-40(33-42)41-22-16-24-44(34-41)58-64-57(39-19-9-6-10-20-39)65-59(66-58)45-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-45/h2*3-41H,1-2H3;5-37H,1-4H3
InChIKeyJKXXDFYNJZXMMP-UHFFFAOYSA-N
XLogP46.88
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002616.26
LogP ≤ 546.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 158946887) is 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)n6)c5)c4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is JKXXDFYNJZXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H45N5.C61H45N5/c1-64(2)56-33-13-12-32-54(56)55-40-50(34-35-57(55)64)59-41-58(65-60(66-59)44-22-10-5-11-23-44)49-28-14-26-47(36-49)48-27-17-31-53(39-48)63-68-61(51-29-15-24-45(37-51)42-18-6-3-7-19-42)67-62(69-63)52-30-16-25-46(38-52)43-20-8-4-9-21-43;1-64(2)56-27-13-12-26-54(56)55-40-52(36-37-57(55)64)59-41-58(65-60(66-59)46-20-10-5-11-21-46)51-24-14-22-49(38-51)50-23-15-25-53(39-50)63-68-61(47-32-28-44(29-33-47)42-16-6-3-7-17-42)67-62(69-63)48-34-30-45(31-35-48)43-18-8-4-9-19-43;1-60(2)51-28-14-12-26-47(51)49-35-43(30-32-52(49)60)55-37-54(62-56(63-55)38-17-7-5-8-18-38)42-23-15-21-40(33-42)41-22-16-24-44(34-41)58-64-57(39-19-9-6-10-20-39)65-59(66-58)45-29-31-48-46-25-11-13-27-50(46)61(3,4)53(48)36-45/h2*3-41H,1-2H3;5-37H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2616.26 g/mol, XLogP of 46.88, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158946887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).