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

C65H47N3 — CID 161346190

IUPAC2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-c5cccc6c5Cc5ccccc5-6)cc(-c5cccc6c5Cc5ccccc5-6)c4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C65H47N3/c1-64(2)57-25-11-9-19-51(57)55-36-40(27-29-59(55)64)61-66-62(41-28-30-60-56(37-41)52-20-10-12-26-58(52)65(60,3)4)68-63(67-61)44-32-42(47-21-13-23-49-45-17-7-5-15-38(45)34-53(47)49)31-43(33-44)48-22-14-24-50-46-18-8-6-16-39(46)35-54(48)50/h5-33,36-37H,34-35H2,1-4H3
InChIKeyNPBDFLLPFROYJP-UHFFFAOYSA-N
MW870.11 g/mol
LogP15.96
Rot. Bonds5

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

2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine (PubChem CID 161346190) has the molecular formula C65H47N3 and a molecular weight of 870.11 g/mol. Its IUPAC name is 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
PubChem CID161346190
Molecular FormulaC65H47N3
Molecular Weight870.11 g/mol
Exact Mass869.38
IUPAC Name2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-c5cccc6c5Cc5ccccc5-6)cc(-c5cccc6c5Cc5ccccc5-6)c4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21
InChIInChI=1S/C65H47N3/c1-64(2)57-25-11-9-19-51(57)55-36-40(27-29-59(55)64)61-66-62(41-28-30-60-56(37-41)52-20-10-12-26-58(52)65(60,3)4)68-63(67-61)44-32-42(47-21-13-23-49-45-17-7-5-15-38(45)34-53(47)49)31-43(33-44)48-22-14-24-50-46-18-8-6-16-39(46)35-54(48)50/h5-33,36-37H,34-35H2,1-4H3
InChIKeyNPBDFLLPFROYJP-UHFFFAOYSA-N
XLogP15.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.11
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-[3-(9H-fluoren-1-yl)-5-(4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 118685337
2-[3-(9,9-dimethylfluoren-2-yl)-5-(9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 161494558
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 118685409
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(8-phenyl-9H-fluoren-3-yl)-1,3,5-triazine
CID 118685410
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-[4-(9H-fluoren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154951427
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
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-[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-[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-[8-(9,9-dimethyl-6-phenylfluoren-2-yl)-3-phenyl-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160864265
1-(9,9-dimethylfluoren-2-yl)-6-[4-(9H-fluoren-1-yl)phenyl]pyrene
CID 143920877

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine (CID 161346190) is 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4cc(-c5cccc6c5Cc5ccccc5-6)cc(-c5cccc6c5Cc5ccccc5-6)c4)nc(-c4ccc5c(c4)-c4ccccc4C5(C)C)n3)ccc21.
What is the InChIKey of 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
The InChIKey is NPBDFLLPFROYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H47N3/c1-64(2)57-25-11-9-19-51(57)55-36-40(27-29-59(55)64)61-66-62(41-28-30-60-56(37-41)52-20-10-12-26-58(52)65(60,3)4)68-63(67-61)44-32-42(47-21-13-23-49-45-17-7-5-15-38(45)34-53(47)49)31-43(33-44)48-22-14-24-50-46-18-8-6-16-39(46)35-54(48)50/h5-33,36-37H,34-35H2,1-4H3.
What are the key properties of 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine?
2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine has a molecular weight of 870.11 g/mol, XLogP of 15.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(9H-fluoren-1-yl)phenyl]-4,6-bis(9,9-dimethylfluoren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 161346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).