9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole

C46H29N3O — CID 166953278

IUPAC9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)34-21-12-24-41-44(34)35-20-10-11-23-40(35)49(41)33-26-27-36-43(28-33)50-42-25-13-22-37(45(36)42)46-47-38(31-16-6-2-7-17-31)29-39(48-46)32-18-8-3-9-19-32/h1-29H
InChIKeyBCCQANICKIYPJU-UHFFFAOYSA-N
MW639.76 g/mol
LogP12.14
Rot. Bonds5

About 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole

9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole (PubChem CID 166953278) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
PubChem CID166953278
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-14-30(15-5-1)34-21-12-24-41-44(34)35-20-10-11-23-40(35)49(41)33-26-27-36-43(28-33)50-42-25-13-22-37(45(36)42)46-47-38(31-16-6-2-7-17-31)29-39(48-46)32-18-8-3-9-19-32/h1-29H
InChIKeyBCCQANICKIYPJU-UHFFFAOYSA-N
XLogP12.14
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole 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

4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenylcarbazole
CID 169059387
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 146519902
4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 146572638
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-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 176817804
9-[3-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 167032367
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole
CID 174169267
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The IUPAC name of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole (CID 166953278) is 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole.
What is the SMILES notation for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The canonical SMILES for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7c(-c8ccccc8)cccc76)ccc5c34)n2)cc1.
What is the InChIKey of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
The InChIKey is BCCQANICKIYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-14-30(15-5-1)34-21-12-24-41-44(34)35-20-10-11-23-40(35)49(41)33-26-27-36-43(28-33)50-42-25-13-22-37(45(36)42)46-47-38(31-16-6-2-7-17-31)29-39(48-46)32-18-8-3-9-19-32/h1-29H.
What are the key properties of 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole?
9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole has a molecular weight of 639.76 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole is sourced from PubChem (CID 166953278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).