10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene

C29H23F — CID 174797668

IUPAC10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
SMILESCc1c(-c2cccc3ccccc23)cc2ccc3c(c2c1F)CCC1=C3C=CCC1
InChIInChI=1S/C29H23F/c1-18-27(24-12-6-9-19-7-2-4-10-22(19)24)17-21-14-15-25-23-11-5-3-8-20(23)13-16-26(25)28(21)29(18)30/h2,4-7,9-12,14-15,17H,3,8,13,16H2,1H3
InChIKeyOAYWPKKTRSDNJD-UHFFFAOYSA-N
MW390.50 g/mol
LogP8.16
Rot. Bonds1

About 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene

10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene (PubChem CID 174797668) has the molecular formula C29H23F and a molecular weight of 390.50 g/mol. Its IUPAC name is 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
PubChem CID174797668
Molecular FormulaC29H23F
Molecular Weight390.50 g/mol
Exact Mass390.18
IUPAC Name10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene
SMILESCc1c(-c2cccc3ccccc23)cc2ccc3c(c2c1F)CCC1=C3C=CCC1
InChIInChI=1S/C29H23F/c1-18-27(24-12-6-9-19-7-2-4-10-22(19)24)17-21-14-15-25-23-11-5-3-8-20(23)13-16-26(25)28(21)29(18)30/h2,4-7,9-12,14-15,17H,3,8,13,16H2,1H3
InChIKeyOAYWPKKTRSDNJD-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5,6,7,8-tetrahydrochrysen-1-yl)naphthalen-1-ol
CID 175438347
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
benzo[e]benzimidazol-2-one;1,2,11,12-tetrahydrochrysene
CID 174378285
4,5-dihydro-1,3-oxazole;1,2,11,12-tetrahydrochrysene
CID 174610668
cinnoline;1,2,11,12-tetrahydrochrysene
CID 174316438
7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435742
8-methyl-10-phenyl-1,2,11,12-tetrahydrochrysene;quinoline
CID 174694275
1-hydroxynaphthalene-2-carboxylic acid;1,2,11,12-tetrahydrochrysene
CID 174408261
benzo[e]benzimidazol-2-one;7-ethyl-1,2,11,12-tetrahydrochrysene
CID 174435741
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carboxylic acid
CID 174400538
1,2,11,12-tetrahydrochrysene;5,5,8,8-tetramethylnaphthalene-2-carbaldehyde
CID 174339249
1,7-naphthyridine;1,2,11,12-tetrahydrochrysene;hydrochloride
CID 174712080

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene (CID 174797668) is 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene is Cc1c(-c2cccc3ccccc23)cc2ccc3c(c2c1F)CCC1=C3C=CCC1.
What is the InChIKey of 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene?
The InChIKey is OAYWPKKTRSDNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F/c1-18-27(24-12-6-9-19-7-2-4-10-22(19)24)17-21-14-15-25-23-11-5-3-8-20(23)13-16-26(25)28(21)29(18)30/h2,4-7,9-12,14-15,17H,3,8,13,16H2,1H3.
What are the key properties of 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene?
10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene has a molecular weight of 390.50 g/mol, XLogP of 8.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-9-methyl-8-naphthalen-1-yl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174797668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).