2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine

C77H54N6 — CID 123496418

IUPAC2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc(C2(c3ccc(Cc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6ccccc6C7(C)c6ccccc6)n5)c4)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C77H54N6/c1-50-40-44-58(45-41-50)77(65-37-18-16-33-61(65)69-63(35-21-39-67(69)77)75-80-70(53-23-7-3-8-24-53)78-71(81-75)54-25-9-4-10-26-54)59-46-42-51(43-47-59)48-52-22-19-29-56(49-52)73-79-72(55-27-11-5-12-28-55)82-74(83-73)62-34-20-38-66-68(62)60-32-15-17-36-64(60)76(66,2)57-30-13-6-14-31-57/h3-47,49H,48H2,1-2H3
InChIKeyIHKJNBYXSYFNFP-UHFFFAOYSA-N
MW1063.32 g/mol
LogP17.66
Rot. Bonds11

About 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine

2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine (PubChem CID 123496418) has the molecular formula C77H54N6 and a molecular weight of 1063.32 g/mol. Its IUPAC name is 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
PubChem CID123496418
Molecular FormulaC77H54N6
Molecular Weight1063.32 g/mol
Exact Mass1062.44
IUPAC Name2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
SMILESCc1ccc(C2(c3ccc(Cc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6ccccc6C7(C)c6ccccc6)n5)c4)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1
InChIInChI=1S/C77H54N6/c1-50-40-44-58(45-41-50)77(65-37-18-16-33-61(65)69-63(35-21-39-67(69)77)75-80-70(53-23-7-3-8-24-53)78-71(81-75)54-25-9-4-10-26-54)59-46-42-51(43-47-59)48-52-22-19-29-56(49-52)73-79-72(55-27-11-5-12-28-55)82-74(83-73)62-34-20-38-66-68(62)60-32-15-17-36-64(60)76(66,2)57-30-13-6-14-31-57/h3-47,49H,48H2,1-2H3
InChIKeyIHKJNBYXSYFNFP-UHFFFAOYSA-N
XLogP17.66
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.32
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
2-(4-chlorophenyl)-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 167485394
2-(9,9-diphenylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 160879933
10-(9,9-dimethylfluoren-4-yl)-29,29-diphenyl-9,11,31-triazaheptacyclo[22.3.1.13,27.18,12.113,17.02,7.018,23]hentriaconta-1(27),2(7),3,5,8(31),9,11,13,15,17(30),18,20,22,24(28),25-pentadecaene
CID 159278811
2-[4-[3-(4-methylphenyl)-9,9-diphenylfluoren-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765168
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 155765178
2-cyclohexa-1,5-dien-1-yl-4-(7-methyl-9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 154618868
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 153302614
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
4-(7,9-dimethyl-9-phenylfluoren-4-yl)-2,6-diphenylpyrimidine
CID 154618871

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine (CID 123496418) is 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine is Cc1ccc(C2(c3ccc(Cc4cccc(-c5nc(-c6ccccc6)nc(-c6cccc7c6-c6ccccc6C7(C)c6ccccc6)n5)c4)cc3)c3ccccc3-c3c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cccc32)cc1.
What is the InChIKey of 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is IHKJNBYXSYFNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H54N6/c1-50-40-44-58(45-41-50)77(65-37-18-16-33-61(65)69-63(35-21-39-67(69)77)75-80-70(53-23-7-3-8-24-53)78-71(81-75)54-25-9-4-10-26-54)59-46-42-51(43-47-59)48-52-22-19-29-56(49-52)73-79-72(55-27-11-5-12-28-55)82-74(83-73)62-34-20-38-66-68(62)60-32-15-17-36-64(60)76(66,2)57-30-13-6-14-31-57/h3-47,49H,48H2,1-2H3.
What are the key properties of 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine?
2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 1063.32 g/mol, XLogP of 17.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 123496418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).