4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile

C24H20FN — CID 22045613

IUPAC4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile
SMILESCCCc1ccc2c(c1F)CCc1cc(-c3ccc(C#N)cc3)ccc1-2
InChIInChI=1S/C24H20FN/c1-2-3-18-8-12-22-21-11-9-19(17-6-4-16(15-26)5-7-17)14-20(21)10-13-23(22)24(18)25/h4-9,11-12,14H,2-3,10,13H2,1H3
InChIKeyHHBRQRLGZCIXPO-UHFFFAOYSA-N
MW341.43 g/mol
LogP6.08
Rot. Bonds3

About 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile

4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile (PubChem CID 22045613) has the molecular formula C24H20FN and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile
PubChem CID22045613
Molecular FormulaC24H20FN
Molecular Weight341.43 g/mol
Exact Mass341.16
IUPAC Name4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile
SMILESCCCc1ccc2c(c1F)CCc1cc(-c3ccc(C#N)cc3)ccc1-2
InChIInChI=1S/C24H20FN/c1-2-3-18-8-12-22-21-11-9-19(17-6-4-16(15-26)5-7-17)14-20(21)10-13-23(22)24(18)25/h4-9,11-12,14H,2-3,10,13H2,1H3
InChIKeyHHBRQRLGZCIXPO-UHFFFAOYSA-N
XLogP6.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.43
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(8-fluoro-7-pentyl-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22044703
4-(7-ethyl-1,3-difluoro-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045451
4-(7-butyl-6,8-difluoro-9H-fluoren-2-yl)benzonitrile
CID 22045606
2-fluoro-4-(8-fluoro-7-hexyl-9H-fluoren-2-yl)benzonitrile
CID 22045088
4-(7-butyl-6,8-difluoro-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile
CID 22045048
2-fluoro-4-(6-fluoro-7-pentyl-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045054
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855
(4-cyanophenyl) 7-butyl-1,3-difluoro-9,10-dihydrophenanthrene-2-carboxylate
CID 139883905
4-[2-[4-[2-(3-fluoro-4-propylphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 22112379
(4-cyanophenyl) 1,3-difluoro-7-heptyl-9,10-dihydrophenanthrene-2-carboxylate
CID 139883268
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
CID 22045499

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile?
The IUPAC name of 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile (CID 22045613) is 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile.
What is the SMILES notation for 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile?
The canonical SMILES for 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile is CCCc1ccc2c(c1F)CCc1cc(-c3ccc(C#N)cc3)ccc1-2.
What is the InChIKey of 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile?
The InChIKey is HHBRQRLGZCIXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN/c1-2-3-18-8-12-22-21-11-9-19(17-6-4-16(15-26)5-7-17)14-20(21)10-13-23(22)24(18)25/h4-9,11-12,14H,2-3,10,13H2,1H3.
What are the key properties of 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile?
4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile has a molecular weight of 341.43 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-7-propyl-9,10-dihydrophenanthren-2-yl)benzonitrile is sourced from PubChem (CID 22045613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).