12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

C42H25NO2 — CID 171612099

IUPAC12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-11-26(12-3-1)27-23-28(30-16-10-17-35-32-14-5-8-19-38(32)44-41(30)35)25-29(24-27)43-37-18-7-4-13-31(37)34-21-22-36-33-15-6-9-20-39(33)45-42(36)40(34)43/h1-25H
InChIKeyJDWHKJXFCUOCPF-UHFFFAOYSA-N
MW575.67 g/mol
LogP11.92
Rot. Bonds3

About 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 171612099) has the molecular formula C42H25NO2 and a molecular weight of 575.67 g/mol. Its IUPAC name is 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID171612099
Molecular FormulaC42H25NO2
Molecular Weight575.67 g/mol
Exact Mass575.19
IUPAC Name12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1
InChIInChI=1S/C42H25NO2/c1-2-11-26(12-3-1)27-23-28(30-16-10-17-35-32-14-5-8-19-38(32)44-41(30)35)25-29(24-27)43-37-18-7-4-13-31(37)34-21-22-36-33-15-6-9-20-39(33)45-42(36)40(34)43/h1-25H
InChIKeyJDWHKJXFCUOCPF-UHFFFAOYSA-N
XLogP11.92
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]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

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
6-(3-dibenzofuran-4-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828171
12-(4-phenyldibenzofuran-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 171612107
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
1-(3-dibenzofuran-4-yl-5-phenylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142569274
7-dibenzofuran-4-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828575
9-[3-(4-chlorophenyl)-5-dibenzofuran-4-ylphenyl]carbazole
CID 170273136
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
10-(4-dibenzofuran-4-ylphenyl)-3-(3,5-diphenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315527
12-[9-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 170277606

Frequently Asked Questions

What is the IUPAC name of 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 171612099) is 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.
What is the InChIKey of 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is JDWHKJXFCUOCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NO2/c1-2-11-26(12-3-1)27-23-28(30-16-10-17-35-32-14-5-8-19-38(32)44-41(30)35)25-29(24-27)43-37-18-7-4-13-31(37)34-21-22-36-33-15-6-9-20-39(33)45-42(36)40(34)43/h1-25H.
What are the key properties of 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 575.67 g/mol, XLogP of 11.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-dibenzofuran-4-yl-5-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 171612099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).