3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole

C58H38N4 — CID 154618882

IUPAC3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)ccc4C5)c3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-38(16-5-1)56-59-57(39-17-6-2-7-18-39)61-58(60-56)47-23-13-21-44(35-47)49-27-14-22-46-34-45-30-29-42(36-51(45)55(46)49)40-19-12-20-41(33-40)43-31-32-54-52(37-43)50-26-10-11-28-53(50)62(54)48-24-8-3-9-25-48/h1-33,35-37H,34H2
InChIKeyXXUVOEACPGBSDI-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.54
Rot. Bonds7

About 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole

3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole (PubChem CID 154618882) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
PubChem CID154618882
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)ccc4C5)c3)n2)cc1
InChIInChI=1S/C58H38N4/c1-4-15-38(16-5-1)56-59-57(39-17-6-2-7-18-39)61-58(60-56)47-23-13-21-44(35-47)49-27-14-22-46-34-45-30-29-42(36-51(45)55(46)49)40-19-12-20-41(33-40)43-31-32-54-52(37-43)50-26-10-11-28-53(50)62(54)48-24-8-3-9-25-48/h1-33,35-37H,34H2
InChIKeyXXUVOEACPGBSDI-UHFFFAOYSA-N
XLogP14.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
CID 169058434
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836
3-(3-carbazol-9-ylphenyl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 58943700
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388283

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole (CID 154618882) is 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c6)ccc4C5)c3)n2)cc1.
What is the InChIKey of 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole?
The InChIKey is XXUVOEACPGBSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-15-38(16-5-1)56-59-57(39-17-6-2-7-18-39)61-58(60-56)47-23-13-21-44(35-47)49-27-14-22-46-34-45-30-29-42(36-51(45)55(46)49)40-19-12-20-41(33-40)43-31-32-54-52(37-43)50-26-10-11-28-53(50)62(54)48-24-8-3-9-25-48/h1-33,35-37H,34H2.
What are the key properties of 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole?
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole has a molecular weight of 790.97 g/mol, XLogP of 14.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 154618882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).