12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

C51H30FN5O — CID 168809481

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H30FN5O/c52-34-25-23-31(24-26-34)41-29-35(30-42-38-19-9-12-22-45(38)58-48(41)42)56-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)57(47(40)46(39)56)51-54-49(32-13-3-1-4-14-32)53-50(55-51)33-15-5-2-6-16-33/h1-30H
InChIKeyLAJMDKWVBMFIOO-UHFFFAOYSA-N
MW747.83 g/mol
LogP13.11
Rot. Bonds5

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809481) has the molecular formula C51H30FN5O and a molecular weight of 747.83 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
PubChem CID168809481
Molecular FormulaC51H30FN5O
Molecular Weight747.83 g/mol
Exact Mass747.24
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole
SMILESFc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H30FN5O/c52-34-25-23-31(24-26-34)41-29-35(30-42-38-19-9-12-22-45(38)58-48(41)42)56-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)57(47(40)46(39)56)51-54-49(32-13-3-1-4-14-32)53-50(55-51)33-15-5-2-6-16-33/h1-30H
InChIKeyLAJMDKWVBMFIOO-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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Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole (CID 168809481) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is Fc1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
The InChIKey is LAJMDKWVBMFIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5O/c52-34-25-23-31(24-26-34)41-29-35(30-42-38-19-9-12-22-45(38)58-48(41)42)56-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)57(47(40)46(39)56)51-54-49(32-13-3-1-4-14-32)53-50(55-51)33-15-5-2-6-16-33/h1-30H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]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 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-fluorophenyl)dibenzofuran-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).