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

C57H30F5N5O — CID 168809503

IUPAC11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)c(F)c1F
InChIInChI=1S/C57H30F5N5O/c58-47-46(48(59)50(61)51(62)49(47)60)42-30-35(29-41-38-19-9-12-22-45(38)68-54(41)42)66-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)67(53(40)52(39)66)57-64-55(33-15-5-2-6-16-33)63-56(65-57)34-25-23-32(24-26-34)31-13-3-1-4-14-31/h1-30H
InChIKeyMUCFNXUQOMLTTI-UHFFFAOYSA-N
MW895.89 g/mol
LogP15.33
Rot. Bonds6

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

11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 168809503) has the molecular formula C57H30F5N5O and a molecular weight of 895.89 g/mol. Its IUPAC name is 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID168809503
Molecular FormulaC57H30F5N5O
Molecular Weight895.89 g/mol
Exact Mass895.24
IUPAC Name11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESFc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)c(F)c1F
InChIInChI=1S/C57H30F5N5O/c58-47-46(48(59)50(61)51(62)49(47)60)42-30-35(29-41-38-19-9-12-22-45(38)68-54(41)42)66-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)67(53(40)52(39)66)57-64-55(33-15-5-2-6-16-33)63-56(65-57)34-25-23-32(24-26-34)31-13-3-1-4-14-31/h1-30H
InChIKeyMUCFNXUQOMLTTI-UHFFFAOYSA-N
XLogP15.33
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.89
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 168809503) is 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is Fc1c(F)c(F)c(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5c43)cc3c2oc2ccccc23)c(F)c1F.
What is the InChIKey of 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is MUCFNXUQOMLTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H30F5N5O/c58-47-46(48(59)50(61)51(62)49(47)60)42-30-35(29-41-38-19-9-12-22-45(38)68-54(41)42)66-43-20-10-7-17-36(43)39-27-28-40-37-18-8-11-21-44(37)67(53(40)52(39)66)57-64-55(33-15-5-2-6-16-33)63-56(65-57)34-25-23-32(24-26-34)31-13-3-1-4-14-31/h1-30H.
What are the key properties of 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 895.89 g/mol, XLogP of 15.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(2,3,4,5,6-pentafluorophenyl)dibenzofuran-2-yl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 168809503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).