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

C52H33N3O — CID 139556110

IUPAC9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)52-53-44(38-15-5-2-6-16-38)33-45(54-52)42-20-12-22-47-50(42)43-18-7-9-21-46(43)55(47)48-23-11-19-41-40-17-8-10-24-49(40)56-51(41)48/h1-33H
InChIKeyKFSMJDJHDRJRMI-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.81
Rot. Bonds6

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

9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole (PubChem CID 139556110) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
PubChem CID139556110
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)52-53-44(38-15-5-2-6-16-38)33-45(54-52)42-20-12-22-47-50(42)43-18-7-9-21-46(43)55(47)48-23-11-19-41-40-17-8-10-24-49(40)56-51(41)48/h1-33H
InChIKeyKFSMJDJHDRJRMI-UHFFFAOYSA-N
XLogP13.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 170106292
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556028
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385469
4-dibenzofuran-4-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491359
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-2,7-diphenylcarbazole;9-[9-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-4-yl]carbazole
CID 162089206
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
4-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)-3-phenylcarbazole
CID 90348778
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556117

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The IUPAC name of 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole (CID 139556110) is 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)cc(-c5cccc6c5c5ccccc5n6-c5cccc6c5oc5ccccc56)n4)cc3)cc2)cc1.
What is the InChIKey of 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
The InChIKey is KFSMJDJHDRJRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-3-13-34(14-4-1)35-25-27-36(28-26-35)37-29-31-39(32-30-37)52-53-44(38-15-5-2-6-16-38)33-45(54-52)42-20-12-22-47-50(42)43-18-7-9-21-46(43)55(47)48-23-11-19-41-40-17-8-10-24-49(40)56-51(41)48/h1-33H.
What are the key properties of 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole?
9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole has a molecular weight of 715.86 g/mol, XLogP of 13.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole is sourced from PubChem (CID 139556110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).