1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole

C58H35N3O2 — CID 142568974

IUPAC1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-15-36(16-4-1)41-32-48(39-20-13-19-38(31-39)42-24-14-25-47-45-23-9-12-28-53(45)63-57(42)47)56-49(33-41)43-21-7-10-26-51(43)61(56)55-35-50(59-58(60-55)37-17-5-2-6-18-37)40-29-30-46-44-22-8-11-27-52(44)62-54(46)34-40/h1-35H
InChIKeyMMZLAIGATLKOQN-UHFFFAOYSA-N
MW805.94 g/mol
LogP15.71
Rot. Bonds6

About 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole

1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole (PubChem CID 142568974) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole.

Molecular Properties

Compound Name1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
PubChem CID142568974
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-15-36(16-4-1)41-32-48(39-20-13-19-38(31-39)42-24-14-25-47-45-23-9-12-28-53(45)63-57(42)47)56-49(33-41)43-21-7-10-26-51(43)61(56)55-35-50(59-58(60-55)37-17-5-2-6-18-37)40-29-30-46-44-22-8-11-27-52(44)62-54(46)34-40/h1-35H
InChIKeyMMZLAIGATLKOQN-UHFFFAOYSA-N
XLogP15.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
9-[4-dibenzofuran-3-yl-6-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060947
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 171585514
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548

Frequently Asked Questions

What is the IUPAC name of 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole?
The IUPAC name of 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole (CID 142568974) is 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole.
What is the SMILES notation for 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole?
The canonical SMILES for 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole is c1ccc(-c2cc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c3c(c2)c2ccccc2n3-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole?
The InChIKey is MMZLAIGATLKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-3-15-36(16-4-1)41-32-48(39-20-13-19-38(31-39)42-24-14-25-47-45-23-9-12-28-53(45)63-57(42)47)56-49(33-41)43-21-7-10-26-51(43)61(56)55-35-50(59-58(60-55)37-17-5-2-6-18-37)40-29-30-46-44-22-8-11-27-52(44)62-54(46)34-40/h1-35H.
What are the key properties of 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole?
1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole has a molecular weight of 805.94 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-dibenzofuran-4-ylphenyl)-9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-3-phenylcarbazole is sourced from PubChem (CID 142568974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).