9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole

C36H23NO — CID 163531288

IUPAC9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc12
InChIInChI=1S/C36H23NO/c1-4-10-33-29(7-1)30-8-2-5-11-34(30)37(33)28-20-17-25(18-21-28)24-13-15-26(16-14-24)27-19-22-36-32(23-27)31-9-3-6-12-35(31)38-36/h1-23H
InChIKeyAJEHWLHHLDIDQR-UHFFFAOYSA-N
MW485.59 g/mol
LogP10.02
Rot. Bonds3

About 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole

9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole (PubChem CID 163531288) has the molecular formula C36H23NO and a molecular weight of 485.59 g/mol. Its IUPAC name is 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
PubChem CID163531288
Molecular FormulaC36H23NO
Molecular Weight485.59 g/mol
Exact Mass485.18
IUPAC Name9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc12
InChIInChI=1S/C36H23NO/c1-4-10-33-29(7-1)30-8-2-5-11-34(30)37(33)28-20-17-25(18-21-28)24-13-15-26(16-14-24)27-19-22-36-32(23-27)31-9-3-6-12-35(31)38-36/h1-23H
InChIKeyAJEHWLHHLDIDQR-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 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole (CID 163531288) is 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc12.
What is the InChIKey of 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole?
The InChIKey is AJEHWLHHLDIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO/c1-4-10-33-29(7-1)30-8-2-5-11-34(30)37(33)28-20-17-25(18-21-28)24-13-15-26(16-14-24)27-19-22-36-32(23-27)31-9-3-6-12-35(31)38-36/h1-23H.
What are the key properties of 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole?
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole 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 9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 163531288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).