10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole

C40H25NO — CID 142569615

IUPAC10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole
SMILESc1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)c1
InChIInChI=1S/C40H25NO/c1-2-14-31-25(9-1)21-22-34-33-18-7-17-32(40(33)41-39(31)34)29-13-6-11-27(24-29)26-10-5-12-28(23-26)30-16-8-20-37-38(30)35-15-3-4-19-36(35)42-37/h1-24,41H
InChIKeyGKWWDTIEWHUYDR-UHFFFAOYSA-N
MW535.65 g/mol
LogP11.37
Rot. Bonds3

About 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole

10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole (PubChem CID 142569615) has the molecular formula C40H25NO and a molecular weight of 535.65 g/mol. Its IUPAC name is 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole.

Molecular Properties

Compound Name10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole
PubChem CID142569615
Molecular FormulaC40H25NO
Molecular Weight535.65 g/mol
Exact Mass535.19
IUPAC Name10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole
SMILESc1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)c1
InChIInChI=1S/C40H25NO/c1-2-14-31-25(9-1)21-22-34-33-18-7-17-32(40(33)41-39(31)34)29-13-6-11-27(24-29)26-10-5-12-28(23-26)30-16-8-20-37-38(30)35-15-3-4-19-36(35)42-37/h1-24,41H
InChIKeyGKWWDTIEWHUYDR-UHFFFAOYSA-N
XLogP11.37
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 511.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole?
The IUPAC name of 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole (CID 142569615) is 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole.
What is the SMILES notation for 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole?
The canonical SMILES for 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole is c1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2c4ccccc4ccc32)c1.
What is the InChIKey of 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole?
The InChIKey is GKWWDTIEWHUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NO/c1-2-14-31-25(9-1)21-22-34-33-18-7-17-32(40(33)41-39(31)34)29-13-6-11-27(24-29)26-10-5-12-28(23-26)30-16-8-20-37-38(30)35-15-3-4-19-36(35)42-37/h1-24,41H.
What are the key properties of 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole?
10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole has a molecular weight of 535.65 g/mol, XLogP of 11.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-11H-benzo[a]carbazole is sourced from PubChem (CID 142569615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).