3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole

C31H22FN — CID 158808657

IUPAC3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
SMILESFc1ccccc1N1c2ccccc2C2C=C(c3ccc4c(c3)-c3ccccc3C4)C=CC21
InChIInChI=1S/C31H22FN/c32-28-10-4-6-12-31(28)33-29-11-5-3-9-25(29)27-19-21(15-16-30(27)33)20-13-14-23-17-22-7-1-2-8-24(22)26(23)18-20/h1-16,18-19,27,30H,17H2
InChIKeyVWYCNENUDCKMFP-UHFFFAOYSA-N
MW427.52 g/mol
LogP7.65
Rot. Bonds2

About 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole

3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole (PubChem CID 158808657) has the molecular formula C31H22FN and a molecular weight of 427.52 g/mol. Its IUPAC name is 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
PubChem CID158808657
Molecular FormulaC31H22FN
Molecular Weight427.52 g/mol
Exact Mass427.17
IUPAC Name3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
SMILESFc1ccccc1N1c2ccccc2C2C=C(c3ccc4c(c3)-c3ccccc3C4)C=CC21
InChIInChI=1S/C31H22FN/c32-28-10-4-6-12-31(28)33-29-11-5-3-9-25(29)27-19-21(15-16-30(27)33)20-13-14-23-17-22-7-1-2-8-24(22)26(23)18-20/h1-16,18-19,27,30H,17H2
InChIKeyVWYCNENUDCKMFP-UHFFFAOYSA-N
XLogP7.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole (CID 158808657) is 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole is Fc1ccccc1N1c2ccccc2C2C=C(c3ccc4c(c3)-c3ccccc3C4)C=CC21.
What is the InChIKey of 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole?
The InChIKey is VWYCNENUDCKMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22FN/c32-28-10-4-6-12-31(28)33-29-11-5-3-9-25(29)27-19-21(15-16-30(27)33)20-13-14-23-17-22-7-1-2-8-24(22)26(23)18-20/h1-16,18-19,27,30H,17H2.
What are the key properties of 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole?
3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole has a molecular weight of 427.52 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 158808657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).