2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

C74H59FN6 — CID 156564100

IUPAC2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC2CC(C)C3(c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5C(C)(C)c5ccccc5-6)cc4-c4ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C(C1)C2
InChIInChI=1S/C74H59FN6/c1-44-37-46-39-45(2)74(53(38-44)40-46)63-36-30-51(55-34-35-59(65-58-27-17-18-28-62(58)73(3,4)66(55)65)72-80-69(49-23-13-7-14-24-49)77-70(81-72)50-25-15-8-16-26-50)41-61(63)56-32-29-52(42-64(56)74)60-43-54(75)31-33-57(60)71-78-67(47-19-9-5-10-20-47)76-68(79-71)48-21-11-6-12-22-48/h5-36,41-46,53H,37-40H2,1-4H3
InChIKeyYEMRFMUKKAFQQA-UHFFFAOYSA-N
MW1051.33 g/mol
LogP18.20
Rot. Bonds8

About 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine

2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 156564100) has the molecular formula C74H59FN6 and a molecular weight of 1051.33 g/mol. Its IUPAC name is 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID156564100
Molecular FormulaC74H59FN6
Molecular Weight1051.33 g/mol
Exact Mass1050.48
IUPAC Name2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC2CC(C)C3(c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5C(C)(C)c5ccccc5-6)cc4-c4ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C(C1)C2
InChIInChI=1S/C74H59FN6/c1-44-37-46-39-45(2)74(53(38-44)40-46)63-36-30-51(55-34-35-59(65-58-27-17-18-28-62(58)73(3,4)66(55)65)72-80-69(49-23-13-7-14-24-49)77-70(81-72)50-25-15-8-16-26-50)41-61(63)56-32-29-52(42-64(56)74)60-43-54(75)31-33-57(60)71-78-67(47-19-9-5-10-20-47)76-68(79-71)48-21-11-6-12-22-48/h5-36,41-46,53H,37-40H2,1-4H3
InChIKeyYEMRFMUKKAFQQA-UHFFFAOYSA-N
XLogP18.20
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.33
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine (CID 156564100) is 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is CC1CC2CC(C)C3(c4ccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c5C(C)(C)c5ccccc5-6)cc4-c4ccc(-c5cc(F)ccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc43)C(C1)C2.
What is the InChIKey of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YEMRFMUKKAFQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59FN6/c1-44-37-46-39-45(2)74(53(38-44)40-46)63-36-30-51(55-34-35-59(65-58-27-17-18-28-62(58)73(3,4)66(55)65)72-80-69(49-23-13-7-14-24-49)77-70(81-72)50-25-15-8-16-26-50)41-61(63)56-32-29-52(42-64(56)74)60-43-54(75)31-33-57(60)71-78-67(47-19-9-5-10-20-47)76-68(79-71)48-21-11-6-12-22-48/h5-36,41-46,53H,37-40H2,1-4H3.
What are the key properties of 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine?
2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1051.33 g/mol, XLogP of 18.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 156564100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).