5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole

C48H29N3O — CID 134603774

IUPAC5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-30(14-3-1)41-29-42(50-48(49-41)39-22-12-21-38-37-20-9-11-24-46(37)52-47(38)39)34-25-26-44(35-18-7-6-17-33(34)35)51-43-23-10-8-19-36(43)40-27-31-15-4-5-16-32(31)28-45(40)51/h1-29H
InChIKeyQVQPLTKDJARVIY-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole

5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 134603774) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID134603774
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C48H29N3O/c1-2-13-30(14-3-1)41-29-42(50-48(49-41)39-22-12-21-38-37-20-9-11-24-46(37)52-47(38)39)34-25-26-44(35-18-7-6-17-33(34)35)51-43-23-10-8-19-36(43)40-27-31-15-4-5-16-32(31)28-45(40)51/h1-29H
InChIKeyQVQPLTKDJARVIY-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]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

5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603673
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
2-[2,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123621988
5-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603713
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-naphtho[1,2-b][1]benzofuran-6-ylphenyl]benzo[b]carbazole
CID 155474561
5-[4-(4-phenyl-6-pyridin-2-ylpyrimidin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603724
5-[3-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[b]carbazole
CID 166916866
5-[6-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 163680086
9-[4-[4-[6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]carbazole
CID 154603932

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole (CID 134603774) is 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is QVQPLTKDJARVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-2-13-30(14-3-1)41-29-42(50-48(49-41)39-22-12-21-38-37-20-9-11-24-46(37)52-47(38)39)34-25-26-44(35-18-7-6-17-33(34)35)51-43-23-10-8-19-36(43)40-27-31-15-4-5-16-32(31)28-45(40)51/h1-29H.
What are the key properties of 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole?
5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 134603774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).