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

C51H30FN5O — CID 147710919

IUPAC9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
SMILESFc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C51H30FN5O/c52-39-25-15-24-37-45-46(57-42-28-13-9-22-35(42)36-23-10-14-29-43(36)57)38(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)30-44(48(45)58-47(37)39)56-40-26-11-7-20-33(40)34-21-8-12-27-41(34)56/h1-30H
InChIKeyGURMWPIZBNVWBH-UHFFFAOYSA-N
MW747.83 g/mol
LogP13.11
Rot. Bonds5

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

9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole (PubChem CID 147710919) has the molecular formula C51H30FN5O and a molecular weight of 747.83 g/mol. Its IUPAC name is 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
PubChem CID147710919
Molecular FormulaC51H30FN5O
Molecular Weight747.83 g/mol
Exact Mass747.24
IUPAC Name9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole
SMILESFc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C51H30FN5O/c52-39-25-15-24-37-45-46(57-42-28-13-9-22-35(42)36-23-10-14-29-43(36)57)38(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)30-44(48(45)58-47(37)39)56-40-26-11-7-20-33(40)34-21-8-12-27-41(34)56/h1-30H
InChIKeyGURMWPIZBNVWBH-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

9-[2-[4-(1-carbazol-9-yl-4-fluorodibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-4-fluorodibenzofuran-1-yl]carbazole
CID 148948409
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]carbazole
CID 164707562
9-[4-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146472254
9-[1-(3,6-diphenylcarbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanodibenzofuran-4-yl]-3,6-diphenylcarbazole
CID 155617159
3-[9-[4-(6-fluorodibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 121276735
9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401452
9-[2,4-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121401483
1,3-di(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-carbonitrile
CID 155131785
9-[1-carbazol-9-yl-3-[4-[1,2-di(carbazol-9-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 153300099
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903092
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581

Frequently Asked Questions

What is the IUPAC name of 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole (CID 147710919) is 9-[1-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-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole is Fc1cccc2c1oc1c(-n3c4ccccc4c4ccccc43)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
The InChIKey is GURMWPIZBNVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5O/c52-39-25-15-24-37-45-46(57-42-28-13-9-22-35(42)36-23-10-14-29-43(36)57)38(51-54-49(31-16-3-1-4-17-31)53-50(55-51)32-18-5-2-6-19-32)30-44(48(45)58-47(37)39)56-40-26-11-7-20-33(40)34-21-8-12-27-41(34)56/h1-30H.
What are the key properties of 9-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole?
9-[1-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-[1-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-fluorodibenzofuran-4-yl]carbazole is sourced from PubChem (CID 147710919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).