3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole

C43H27N3O — CID 66692481

IUPAC3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cccc3[nH]c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)nc23)cc1
InChIInChI=1S/C43H27N3O/c1-2-10-27(11-3-1)31-14-9-17-37-41(31)45-43(44-37)28-20-23-30(24-21-28)46-38-18-6-4-12-33(38)36-26-29(22-25-39(36)46)32-15-8-16-35-34-13-5-7-19-40(34)47-42(32)35/h1-26H,(H,44,45)
InChIKeyORRSMYHAGKMTRA-UHFFFAOYSA-N
MW601.71 g/mol
LogP11.56
Rot. Bonds4

About 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole

3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole (PubChem CID 66692481) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole
PubChem CID66692481
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cccc3[nH]c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)nc23)cc1
InChIInChI=1S/C43H27N3O/c1-2-10-27(11-3-1)31-14-9-17-37-41(31)45-43(44-37)28-20-23-30(24-21-28)46-38-18-6-4-12-33(38)36-26-29(22-25-39(36)46)32-15-8-16-35-34-13-5-7-19-40(34)47-42(32)35/h1-26H,(H,44,45)
InChIKeyORRSMYHAGKMTRA-UHFFFAOYSA-N
XLogP11.56
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole (CID 66692481) is 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole is c1ccc(-c2cccc3[nH]c(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7oc7ccccc78)ccc65)cc4)nc23)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole?
The InChIKey is ORRSMYHAGKMTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-10-27(11-3-1)31-14-9-17-37-41(31)45-43(44-37)28-20-23-30(24-21-28)46-38-18-6-4-12-33(38)36-26-29(22-25-39(36)46)32-15-8-16-35-34-13-5-7-19-40(34)47-42(32)35/h1-26H,(H,44,45).
What are the key properties of 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole?
3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole has a molecular weight of 601.71 g/mol, XLogP of 11.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-[4-(4-phenyl-1H-benzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 66692481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).