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

C53H33N3O — CID 177145528

IUPAC9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(C2(c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-n5c6ccccc6c6ccccc65)n4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-17-35(18-3-1)53(44-27-9-4-20-37(44)38-21-5-10-28-45(38)53)36-19-14-16-34(32-36)52-54-46(43-26-15-25-42-41-24-8-13-31-49(41)57-51(42)43)33-50(55-52)56-47-29-11-6-22-39(47)40-23-7-12-30-48(40)56/h1-33H
InChIKeyAVOOEMZNDFPOAN-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.17
Rot. Bonds5

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

9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole (PubChem CID 177145528) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole
PubChem CID177145528
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(C2(c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-n5c6ccccc6c6ccccc65)n4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C53H33N3O/c1-2-17-35(18-3-1)53(44-27-9-4-20-37(44)38-21-5-10-28-45(38)53)36-19-14-16-34(32-36)52-54-46(43-26-15-25-42-41-24-8-13-31-49(41)57-51(42)43)33-50(55-52)56-47-29-11-6-22-39(47)40-23-7-12-30-48(40)56/h1-33H
InChIKeyAVOOEMZNDFPOAN-UHFFFAOYSA-N
XLogP13.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603443
9-[6-dibenzofuran-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
CID 162479952
4-(2-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603080
4-dibenzofuran-4-yl-6-[2-(9,9-diphenylfluoren-1-yl)phenyl]-2-phenylpyrimidine
CID 171602923
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
4-dibenzofuran-4-yl-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171602202
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314
4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-1-ylpyrimidine
CID 171602380

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole (CID 177145528) is 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole is c1ccc(C2(c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-n5c6ccccc6c6ccccc65)n4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole?
The InChIKey is AVOOEMZNDFPOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-17-35(18-3-1)53(44-27-9-4-20-37(44)38-21-5-10-28-45(38)53)36-19-14-16-34(32-36)52-54-46(43-26-15-25-42-41-24-8-13-31-49(41)57-51(42)43)33-50(55-52)56-47-29-11-6-22-39(47)40-23-7-12-30-48(40)56/h1-33H.
What are the key properties of 9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole?
9-[6-dibenzofuran-4-yl-2-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.17, 5 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-(9-phenylfluoren-9-yl)phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 177145528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).