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

C52H33N3O — CID 139556028

IUPAC9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)45-33-46(54-52(53-45)38-19-8-3-9-20-38)41-23-14-25-48-50(41)42-22-10-12-24-47(42)55(48)39-31-43(36-17-6-2-7-18-36)51-44(32-39)40-21-11-13-26-49(40)56-51/h1-33H
InChIKeyNMRRVEHFTXBYSU-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.81
Rot. Bonds6

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

9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole (PubChem CID 139556028) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
PubChem CID139556028
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C52H33N3O/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)45-33-46(54-52(53-45)38-19-8-3-9-20-38)41-23-14-25-48-50(41)42-22-10-12-24-47(42)55(48)39-31-43(36-17-6-2-7-18-36)51-44(32-39)40-21-11-13-26-49(40)56-51/h1-33H
InChIKeyNMRRVEHFTXBYSU-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-dibenzofuran-4-yl-4-[6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]carbazole
CID 139556110
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 118922865
9-(4,6-diphenylpyrimidin-2-yl)-14-(4-phenyldibenzofuran-2-yl)-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 140937328
9-dibenzofuran-2-yl-4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556117
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
9-[7-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]carbazole
CID 166495859
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
9-[4-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 170228264
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole?
The IUPAC name of 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole (CID 139556028) is 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole?
The canonical SMILES for 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole is c1ccc(-c2ccc(-c3cc(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole?
The InChIKey is NMRRVEHFTXBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-4-15-34(16-5-1)35-27-29-37(30-28-35)45-33-46(54-52(53-45)38-19-8-3-9-20-38)41-23-14-25-48-50(41)42-22-10-12-24-47(42)55(48)39-31-43(36-17-6-2-7-18-36)51-44(32-39)40-21-11-13-26-49(40)56-51/h1-33H.
What are the key properties of 9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole?
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)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-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole is sourced from PubChem (CID 139556028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).