9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole

C30H18FNO — CID 121419669

IUPAC9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole
SMILESFc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C30H18FNO/c31-25-11-6-13-27-30(25)23-10-1-3-12-26(23)32(27)21-8-5-7-19(17-21)20-15-16-29-24(18-20)22-9-2-4-14-28(22)33-29/h1-18H
InChIKeyVRQUHQRNSCEKNR-UHFFFAOYSA-N
MW427.48 g/mol
LogP8.49
Rot. Bonds2

About 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole

9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole (PubChem CID 121419669) has the molecular formula C30H18FNO and a molecular weight of 427.48 g/mol. Its IUPAC name is 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole.

Molecular Properties

Compound Name9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole
PubChem CID121419669
Molecular FormulaC30H18FNO
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole
SMILESFc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C30H18FNO/c31-25-11-6-13-27-30(25)23-10-1-3-12-26(23)32(27)21-8-5-7-19(17-21)20-15-16-29-24(18-20)22-9-2-4-14-28(22)33-29/h1-18H
InChIKeyVRQUHQRNSCEKNR-UHFFFAOYSA-N
XLogP8.49
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole?
The IUPAC name of 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole (CID 121419669) is 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole.
What is the SMILES notation for 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole?
The canonical SMILES for 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole is Fc1cccc2c1c1ccccc1n2-c1cccc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole?
The InChIKey is VRQUHQRNSCEKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18FNO/c31-25-11-6-13-27-30(25)23-10-1-3-12-26(23)32(27)21-8-5-7-19(17-21)20-15-16-29-24(18-20)22-9-2-4-14-28(22)33-29/h1-18H.
What are the key properties of 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole?
9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole has a molecular weight of 427.48 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dibenzofuran-2-ylphenyl)-4-fluorocarbazole is sourced from PubChem (CID 121419669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).