2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole

C51H32FN5 — CID 138549332

IUPAC2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole
SMILESFc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C51H32FN5/c52-36-19-13-18-35(30-36)39-28-26-37(31-44(39)51-54-49(33-14-3-1-4-15-33)53-50(55-51)34-16-5-2-6-17-34)57-47-25-12-9-22-42(47)43-29-27-38(32-48(43)57)56-45-23-10-7-20-40(45)41-21-8-11-24-46(41)56/h1-32H
InChIKeyKEOJQCFDMIKLGB-UHFFFAOYSA-N
MW733.85 g/mol
LogP12.87
Rot. Bonds6

About 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole

2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole (PubChem CID 138549332) has the molecular formula C51H32FN5 and a molecular weight of 733.85 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole
PubChem CID138549332
Molecular FormulaC51H32FN5
Molecular Weight733.85 g/mol
Exact Mass733.26
IUPAC Name2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole
SMILESFc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C51H32FN5/c52-36-19-13-18-35(30-36)39-28-26-37(31-44(39)51-54-49(33-14-3-1-4-15-33)53-50(55-51)34-16-5-2-6-17-34)57-47-25-12-9-22-42(47)43-29-27-38(32-48(43)57)56-45-23-10-7-20-40(45)41-21-8-11-24-46(41)56/h1-32H
InChIKeyKEOJQCFDMIKLGB-UHFFFAOYSA-N
XLogP12.87
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.85
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
CID 138549741
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138549660
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole (CID 138549332) is 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole is Fc1cccc(-c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole?
The InChIKey is KEOJQCFDMIKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32FN5/c52-36-19-13-18-35(30-36)39-28-26-37(31-44(39)51-54-49(33-14-3-1-4-15-33)53-50(55-51)34-16-5-2-6-17-34)57-47-25-12-9-22-42(47)43-29-27-38(32-48(43)57)56-45-23-10-7-20-40(45)41-21-8-11-24-46(41)56/h1-32H.
What are the key properties of 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole?
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole has a molecular weight of 733.85 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 138549332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).