(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol

C24H20F2N2O — CID 142819655

IUPAC(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21
InChIInChI=1S/C24H20F2N2O/c25-18-6-4-15(5-7-18)24(29)21-3-1-2-16-13-23-17(12-22(16)21)14-27-28(23)20-10-8-19(26)9-11-20/h4-14,21,24,29H,1-3H2
InChIKeyYDQIOPPBLPGXBY-UHFFFAOYSA-N
MW390.43 g/mol
LogP5.46
Rot. Bonds3

About (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol

(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol (PubChem CID 142819655) has the molecular formula C24H20F2N2O and a molecular weight of 390.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol
PubChem CID142819655
Molecular FormulaC24H20F2N2O
Molecular Weight390.43 g/mol
Exact Mass390.15
IUPAC Name(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21
InChIInChI=1S/C24H20F2N2O/c25-18-6-4-15(5-7-18)24(29)21-3-1-2-16-13-23-17(12-22(16)21)14-27-28(23)20-10-8-19(26)9-11-20/h4-14,21,24,29H,1-3H2
InChIKeyYDQIOPPBLPGXBY-UHFFFAOYSA-N
XLogP5.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-ethoxy-14-(4-fluorophenyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-5-amine
CID 144586521
1-(4-fluorophenyl)-5,7,8,9-tetrahydrocyclohepta[f]indazol-6-one
CID 86722325
[1-(4-fluorophenyl)indazol-5-yl]-pyridin-4-ylmethanol
CID 67005631
(2R,5S,7R)-2-ethyl-14-(4-fluorophenyl)-5-propyl-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-5-ol
CID 74221112
(2R,7R)-2-ethyl-14-(4-fluorophenyl)-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),5,12,15,17-pentaene
CID 86722406
(2S,5R,7S)-2-ethyl-14-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-4-one
CID 86722414
(2R)-2-ethyl-14-(4-fluorophenyl)-5-propyl-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraene
CID 144586464
(2R,5S,7R)-5-(ethoxymethyl)-2-ethyl-14-(4-fluorophenyl)-14,15-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),12,15,17-tetraen-5-ol
CID 74221173
(S)-(3-chloro-4-fluorophenyl)-[(13R)-6-(4-fluorophenyl)-1λ3-ioda-5,6-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-13-yl]methanol
CID 88987542
1-(4-fluorophenyl)-6-propan-2-ylindazol-5-ol
CID 67005535
(S)-1-benzothiophen-3-yl-[(5R)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol
CID 58980251
(S)-1-benzothiophen-3-yl-[(5S)-1-(4-fluorophenyl)-5-methyl-7,8-dihydro-6H-benzo[f]indazol-5-yl]methanol
CID 58980209

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol (CID 142819655) is (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol is OC(c1ccc(F)cc1)C1CCCc2cc3c(cnn3-c3ccc(F)cc3)cc21.
What is the InChIKey of (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol?
The InChIKey is YDQIOPPBLPGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O/c25-18-6-4-15(5-7-18)24(29)21-3-1-2-16-13-23-17(12-22(16)21)14-27-28(23)20-10-8-19(26)9-11-20/h4-14,21,24,29H,1-3H2.
What are the key properties of (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol?
(4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol has a molecular weight of 390.43 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-fluorophenyl)-5,6,7,8-tetrahydrobenzo[f]indazol-5-yl]methanol is sourced from PubChem (CID 142819655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).