2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole

C63H39FN6 — CID 138549500

IUPAC2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
SMILESFc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C63H39FN6/c64-44-30-27-40(28-31-44)43-29-34-53(63-66-61(41-15-3-1-4-16-41)65-62(67-63)42-17-5-2-6-18-42)58(37-43)70-59-38-45(68-54-23-11-7-19-47(54)48-20-8-12-24-55(48)68)32-35-51(59)52-36-33-46(39-60(52)70)69-56-25-13-9-21-49(56)50-22-10-14-26-57(50)69/h1-39H
InChIKeyBHXVCOJDYGGNOM-UHFFFAOYSA-N
MW899.05 g/mol
LogP15.97
Rot. Bonds7

About 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole

2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole (PubChem CID 138549500) has the molecular formula C63H39FN6 and a molecular weight of 899.05 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
PubChem CID138549500
Molecular FormulaC63H39FN6
Molecular Weight899.05 g/mol
Exact Mass898.32
IUPAC Name2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
SMILESFc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1
InChIInChI=1S/C63H39FN6/c64-44-30-27-40(28-31-44)43-29-34-53(63-66-61(41-15-3-1-4-16-41)65-62(67-63)42-17-5-2-6-18-42)58(37-43)70-59-38-45(68-54-23-11-7-19-47(54)48-20-8-12-24-55(48)68)32-35-51(59)52-36-33-46(39-60(52)70)69-56-25-13-9-21-49(56)50-22-10-14-26-57(50)69/h1-39H
InChIKeyBHXVCOJDYGGNOM-UHFFFAOYSA-N
XLogP15.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.05
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-2,7-diphenylcarbazole
CID 142555832
3-carbazol-9-yl-9-[5-(3,5-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138565341
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486289
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-fluorophenyl)phenyl]carbazole
CID 138549730
3,6-di(carbazol-9-yl)-9-[5-(2,6-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 138566204
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 142555961
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138549402
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole?
The IUPAC name of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole (CID 138549500) is 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole is Fc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c2)cc1.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole?
The InChIKey is BHXVCOJDYGGNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39FN6/c64-44-30-27-40(28-31-44)43-29-34-53(63-66-61(41-15-3-1-4-16-41)65-62(67-63)42-17-5-2-6-18-42)58(37-43)70-59-38-45(68-54-23-11-7-19-47(54)48-20-8-12-24-55(48)68)32-35-51(59)52-36-33-46(39-60(52)70)69-56-25-13-9-21-49(56)50-22-10-14-26-57(50)69/h1-39H.
What are the key properties of 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole?
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole has a molecular weight of 899.05 g/mol, XLogP of 15.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole is sourced from PubChem (CID 138549500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).