9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole

C53H35N3O — CID 162479863

IUPAC9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)cc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C53H35N3O/c1-4-17-37(18-5-1)53(38-19-6-2-7-20-38,39-21-8-3-9-22-39)40-33-31-36(32-34-40)52-54-45(43-26-16-30-49-51(43)44-25-12-15-29-48(44)57-49)35-50(55-52)56-46-27-13-10-23-41(46)42-24-11-14-28-47(42)56/h1-35H
InChIKeyWUTBCOFITUCLEO-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.19
Rot. Bonds7

About 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole

9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole (PubChem CID 162479863) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole
PubChem CID162479863
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)cc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C53H35N3O/c1-4-17-37(18-5-1)53(38-19-6-2-7-20-38,39-21-8-3-9-22-39)40-33-31-36(32-34-40)52-54-45(43-26-16-30-49-51(43)44-25-12-15-29-48(44)57-49)35-50(55-52)56-46-27-13-10-23-41(46)42-24-11-14-28-47(42)56/h1-35H
InChIKeyWUTBCOFITUCLEO-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-4-yl-2-(3-tritylphenyl)pyrimidin-4-yl]carbazole
CID 162479952
3-[8-[9-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole;3-[8-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 159711280
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-dibenzofuran-1-ylpyrimidin-2-yl]phenyl]-triphenylsilane
CID 169282051
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
9-[6-[3-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]carbazole
CID 171051214
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)carbazole
CID 142377731
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-[1]benzofuro[3,2-a]carbazole
CID 138649916
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 118888358

Frequently Asked Questions

What is the IUPAC name of 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole (CID 162479863) is 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole is c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(-c3nc(-c4cccc5oc6ccccc6c45)cc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1.
What is the InChIKey of 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole?
The InChIKey is WUTBCOFITUCLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-4-17-37(18-5-1)53(38-19-6-2-7-20-38,39-21-8-3-9-22-39)40-33-31-36(32-34-40)52-54-45(43-26-16-30-49-51(43)44-25-12-15-29-48(44)57-49)35-50(55-52)56-46-27-13-10-23-41(46)42-24-11-14-28-47(42)56/h1-35H.
What are the key properties of 9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole?
9-[6-dibenzofuran-1-yl-2-(4-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-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 162479863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).