9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole

C46H28N4O — CID 89433731

IUPAC9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-12-29(13-3-1)46-47-38(28-45(48-46)50-41-20-10-6-16-34(41)35-17-7-11-21-42(35)50)30-22-24-43-36(26-30)37-27-31(23-25-44(37)51-43)49-39-18-8-4-14-32(39)33-15-5-9-19-40(33)49/h1-28H
InChIKeyUDCAPWSFPAZGPU-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.90
Rot. Bonds4

About 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole

9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole (PubChem CID 89433731) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole.

Molecular Properties

Compound Name9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole
PubChem CID89433731
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C46H28N4O/c1-2-12-29(13-3-1)46-47-38(28-45(48-46)50-41-20-10-6-16-34(41)35-17-7-11-21-42(35)50)30-22-24-43-36(26-30)37-27-31(23-25-44(37)51-43)49-39-18-8-4-14-32(39)33-15-5-9-19-40(33)49/h1-28H
InChIKeyUDCAPWSFPAZGPU-UHFFFAOYSA-N
XLogP11.90
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[18-(2,6-diphenylpyrimidin-4-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 59147373
9-[8-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]dibenzofuran-3-yl]carbazole
CID 166952321
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
3-[9-(2,6-diphenylpyrimidin-4-yl)-6-phenylcarbazol-3-yl]-6-phenyl-9-(9-phenylcarbazol-3-yl)carbazole
CID 88866627
11-[6-dibenzofuran-3-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole
CID 118154475
2-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139555285
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-[8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-2-yl]carbazole
CID 169011410
12-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170268456

Frequently Asked Questions

What is the IUPAC name of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole?
The IUPAC name of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole (CID 89433731) is 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole.
What is the SMILES notation for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole?
The canonical SMILES for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole is c1ccc(-c2nc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)cc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole?
The InChIKey is UDCAPWSFPAZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-2-12-29(13-3-1)46-47-38(28-45(48-46)50-41-20-10-6-16-34(41)35-17-7-11-21-42(35)50)30-22-24-43-36(26-30)37-27-31(23-25-44(37)51-43)49-39-18-8-4-14-32(39)33-15-5-9-19-40(33)49/h1-28H.
What are the key properties of 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole?
9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole has a molecular weight of 652.76 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(8-carbazol-9-yldibenzofuran-2-yl)-2-phenylpyrimidin-4-yl]carbazole is sourced from PubChem (CID 89433731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).