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

C51H30FN5O — CID 153300029

IUPAC9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
SMILESFc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C51H30FN5O/c52-40-25-15-24-37-38-30-39(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)45(56-41-26-11-7-20-33(41)34-21-8-12-27-42(34)56)46(48(38)58-47(37)40)57-43-28-13-9-22-35(43)36-23-10-14-29-44(36)57/h1-30H
InChIKeyGDHZMYMSYHTOFD-UHFFFAOYSA-N
MW747.83 g/mol
LogP13.11
Rot. Bonds5

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

9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole (PubChem CID 153300029) has the molecular formula C51H30FN5O and a molecular weight of 747.83 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
PubChem CID153300029
Molecular FormulaC51H30FN5O
Molecular Weight747.83 g/mol
Exact Mass747.24
IUPAC Name9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
SMILESFc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12
InChIInChI=1S/C51H30FN5O/c52-40-25-15-24-37-38-30-39(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)45(56-41-26-11-7-20-33(41)34-21-8-12-27-42(34)56)46(48(38)58-47(37)40)57-43-28-13-9-22-35(43)36-23-10-14-29-44(36)57/h1-30H
InChIKeyGDHZMYMSYHTOFD-UHFFFAOYSA-N
XLogP13.11
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.83
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
5-[4-(6-Fluoro-2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90324675
5-[4-[2-Phenyl-6-(trifluoromethoxy)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327172
5-[4-[2-Phenyl-6-(trifluoromethyl)benzimidazol-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 90327196
7-[4-(3,5-Difluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 117827087
7-[4-[2-(3-Dibenzofuran-2-ylcarbazol-9-yl)quinazolin-4-yl]phenyl]-10-fluorobenzo[c]carbazole
CID 117881005
9-(3,5-Difluorophenyl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 118507898
3-[9-[4-(8-Fluorodibenzofuran-2-yl)-6-phenylpyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276701
3-[9-[6-(8-Fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole
CID 121276705

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole (CID 153300029) is 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole is Fc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc12.
What is the InChIKey of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The InChIKey is GDHZMYMSYHTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5O/c52-40-25-15-24-37-38-30-39(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)45(56-41-26-11-7-20-33(41)34-21-8-12-27-42(34)56)46(48(38)58-47(37)40)57-43-28-13-9-22-35(43)36-23-10-14-29-44(36)57/h1-30H.
What are the key properties of 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole has a molecular weight of 747.83 g/mol, XLogP of 13.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole is sourced from PubChem (CID 153300029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).