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

C61H43N3 — CID 146367888

IUPAC2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C61H43N3/c1-60(2)53-29-17-15-27-47(53)50-37-44(35-36-54(50)60)49-38-51-48-28-16-18-30-55(48)61(45-23-11-5-12-24-45,46-25-13-6-14-26-46)56(51)39-52(49)59-63-57(42-21-9-4-10-22-42)62-58(64-59)43-33-31-41(32-34-43)40-19-7-3-8-20-40/h3-39H,1-2H3
InChIKeyFECDACHFEULCSG-UHFFFAOYSA-N
MW818.04 g/mol
LogP14.88
Rot. Bonds7

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

2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146367888) has the molecular formula C61H43N3 and a molecular weight of 818.04 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID146367888
Molecular FormulaC61H43N3
Molecular Weight818.04 g/mol
Exact Mass817.35
IUPAC Name2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21
InChIInChI=1S/C61H43N3/c1-60(2)53-29-17-15-27-47(53)50-37-44(35-36-54(50)60)49-38-51-48-28-16-18-30-55(48)61(45-23-11-5-12-24-45,46-25-13-6-14-26-46)56(51)39-52(49)59-63-57(42-21-9-4-10-22-42)62-58(64-59)43-33-31-41(32-34-43)40-19-7-3-8-20-40/h3-39H,1-2H3
InChIKeyFECDACHFEULCSG-UHFFFAOYSA-N
XLogP14.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.04
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(9,9-dimethyl-3-phenylfluoren-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 160861810
2,4-diphenyl-6-[4-(2,9,9-triphenylfluoren-3-yl)phenyl]-1,3,5-triazine
CID 137413879
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 159302076
2-[4-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146367748
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142504402
2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177079191
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-[2-(4,6-diphenylpyrimidin-2-yl)-9,9-diphenylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 146367918
4-(9,9-dimethylfluoren-3-yl)-6-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 176834778

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 146367888) is 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc4c(cc3-c3nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is FECDACHFEULCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43N3/c1-60(2)53-29-17-15-27-47(53)50-37-44(35-36-54(50)60)49-38-51-48-28-16-18-30-55(48)61(45-23-11-5-12-24-45,46-25-13-6-14-26-46)56(51)39-52(49)59-63-57(42-21-9-4-10-22-42)62-58(64-59)43-33-31-41(32-34-43)40-19-7-3-8-20-40/h3-39H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 818.04 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-3-yl)-9,9-diphenylfluoren-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146367888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).