2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

C67H49N5 — CID 58943596

IUPAC2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C67H49N5/c1-66(2)56-37-48(28-32-52(56)54-34-30-50(39-58(54)66)61-41-60(42-18-9-5-10-19-42)68-62(69-61)43-20-11-6-12-21-43)46-26-17-27-47(36-46)49-29-33-53-55-35-31-51(40-59(55)67(3,4)57(53)38-49)65-71-63(44-22-13-7-14-23-44)70-64(72-65)45-24-15-8-16-25-45/h5-41H,1-4H3
InChIKeyHFEJKVWPOFERMV-UHFFFAOYSA-N
MW924.16 g/mol
LogP16.61
Rot. Bonds8

About 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 58943596) has the molecular formula C67H49N5 and a molecular weight of 924.16 g/mol. Its IUPAC name is 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID58943596
Molecular FormulaC67H49N5
Molecular Weight924.16 g/mol
Exact Mass923.40
IUPAC Name2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C67H49N5/c1-66(2)56-37-48(28-32-52(56)54-34-30-50(39-58(54)66)61-41-60(42-18-9-5-10-19-42)68-62(69-61)43-20-11-6-12-21-43)46-26-17-27-47(36-46)49-29-33-53-55-35-31-51(40-59(55)67(3,4)57(53)38-49)65-71-63(44-22-13-7-14-23-44)70-64(72-65)45-24-15-8-16-25-45/h5-41H,1-4H3
InChIKeyHFEJKVWPOFERMV-UHFFFAOYSA-N
XLogP16.61
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 516.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 58943596) is 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HFEJKVWPOFERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5/c1-66(2)56-37-48(28-32-52(56)54-34-30-50(39-58(54)66)61-41-60(42-18-9-5-10-19-42)68-62(69-61)43-20-11-6-12-21-43)46-26-17-27-47(36-46)49-29-33-53-55-35-31-51(40-59(55)67(3,4)57(53)38-49)65-71-63(44-22-13-7-14-23-44)70-64(72-65)45-24-15-8-16-25-45/h5-41H,1-4H3.
What are the key properties of 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 924.16 g/mol, XLogP of 16.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[3-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 58943596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).