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

C55H39N3 — CID 118685337

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc6c5Cc5ccccc5-6)c4)n3)cc21
InChIInChI=1S/C55H39N3/c1-55(2)50-23-12-11-20-47(50)48-29-28-40(34-51(48)55)53-56-52(38-16-7-4-8-17-38)57-54(58-53)43-31-41(37-26-24-36(25-27-37)35-14-5-3-6-15-35)30-42(32-43)45-21-13-22-46-44-19-10-9-18-39(44)33-49(45)46/h3-32,34H,33H2,1-2H3
InChIKeyZJIZUVNOWQTHRM-UHFFFAOYSA-N
MW741.94 g/mol
LogP13.75
Rot. Bonds6

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

2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 118685337) has the molecular formula C55H39N3 and a molecular weight of 741.94 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID118685337
Molecular FormulaC55H39N3
Molecular Weight741.94 g/mol
Exact Mass741.31
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc6c5Cc5ccccc5-6)c4)n3)cc21
InChIInChI=1S/C55H39N3/c1-55(2)50-23-12-11-20-47(50)48-29-28-40(34-51(48)55)53-56-52(38-16-7-4-8-17-38)57-54(58-53)43-31-41(37-26-24-36(25-27-37)35-14-5-3-6-15-35)30-42(32-43)45-21-13-22-46-44-19-10-9-18-39(44)33-49(45)46/h3-32,34H,33H2,1-2H3
InChIKeyZJIZUVNOWQTHRM-UHFFFAOYSA-N
XLogP13.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.94
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-phenyl-5-(8-phenyl-9H-fluoren-1-yl)phenyl]-1,3,5-triazine
CID 158720930
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(3-phenyl-5-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine
CID 159653437
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
CID 161346190
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[3-[5-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241569
2-[3-[6-(9,9-dimethylfluoren-2-yl)-9H-fluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241565
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427
2-[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 126609528
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
2-[3-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160864265

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine (CID 118685337) is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6ccccc6)cc5)cc(-c5cccc6c5Cc5ccccc5-6)c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is ZJIZUVNOWQTHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3/c1-55(2)50-23-12-11-20-47(50)48-29-28-40(34-51(48)55)53-56-52(38-16-7-4-8-17-38)57-54(58-53)43-31-41(37-26-24-36(25-27-37)35-14-5-3-6-15-35)30-42(32-43)45-21-13-22-46-44-19-10-9-18-39(44)33-49(45)46/h3-32,34H,33H2,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 741.94 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 118685337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).