3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole

C36H23NO — CID 139423478

IUPAC3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C36H23NO/c1-2-10-26(11-3-1)37-33-16-8-6-14-29(33)31-22-24(18-20-34(31)37)27-12-4-5-13-28(27)25-19-21-36-32(23-25)30-15-7-9-17-35(30)38-36/h1-23H
InChIKeyXDGVSWXCLXKGNG-UHFFFAOYSA-N
MW485.59 g/mol
LogP10.02
Rot. Bonds3

About 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole

3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole (PubChem CID 139423478) has the molecular formula C36H23NO and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
PubChem CID139423478
Molecular FormulaC36H23NO
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC Name3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C36H23NO/c1-2-10-26(11-3-1)37-33-16-8-6-14-29(33)31-22-24(18-20-34(31)37)27-12-4-5-13-28(27)25-19-21-36-32(23-25)30-15-7-9-17-35(30)38-36/h1-23H
InChIKeyXDGVSWXCLXKGNG-UHFFFAOYSA-N
XLogP10.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole (CID 139423478) is 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole?
The InChIKey is XDGVSWXCLXKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO/c1-2-10-26(11-3-1)37-33-16-8-6-14-29(33)31-22-24(18-20-34(31)37)27-12-4-5-13-28(27)25-19-21-36-32(23-25)30-15-7-9-17-35(30)38-36/h1-23H.
What are the key properties of 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole?
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole has a molecular weight of 485.59 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 139423478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).