9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole

C53H35N3O — CID 162479952

IUPAC9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C53H35N3O/c1-4-19-37(20-5-1)53(38-21-6-2-7-22-38,39-23-8-3-9-24-39)40-25-16-18-36(34-40)52-54-46(45-30-17-29-44-43-28-12-15-33-49(43)57-51(44)45)35-50(55-52)56-47-31-13-10-26-41(47)42-27-11-14-32-48(42)56/h1-35H
InChIKeyFMHYIWGFXXXHPX-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.19
Rot. Bonds7

About 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole

9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole (PubChem CID 162479952) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
PubChem CID162479952
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
InChIInChI=1S/C53H35N3O/c1-4-19-37(20-5-1)53(38-21-6-2-7-22-38,39-23-8-3-9-24-39)40-25-16-18-36(34-40)52-54-46(45-30-17-29-44-43-28-12-15-33-49(43)57-51(44)45)35-50(55-52)56-47-31-13-10-26-41(47)42-27-11-14-32-48(42)56/h1-35H
InChIKeyFMHYIWGFXXXHPX-UHFFFAOYSA-N
XLogP13.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole
CID 162479863
9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole
CID 177145528
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
11-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154044
1-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153889
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
CID 142568974
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole;12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 159993428
3-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-9-phenylcarbazole
CID 118153906
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
9-[6-(6-dibenzofuran-4-yldibenzofuran-4-yl)-2-pyridinyl]carbazole
CID 146266799
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole (CID 162479952) is 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-c4cccc5c4oc4ccccc45)cc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.
What is the InChIKey of 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole?
The InChIKey is FMHYIWGFXXXHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-4-19-37(20-5-1)53(38-21-6-2-7-22-38,39-23-8-3-9-24-39)40-25-16-18-36(34-40)52-54-46(45-30-17-29-44-43-28-12-15-33-49(43)57-51(44)45)35-50(55-52)56-47-31-13-10-26-41(47)42-27-11-14-32-48(42)56/h1-35H.
What are the key properties of 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole?
9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole has a molecular weight of 729.88 g/mol, XLogP of 13.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 162479952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).