3,6-dicyclohexyl-9H-fluorene

C25H30 — CID 87146028

IUPAC3,6-dicyclohexyl-9H-fluorene
SMILESc1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)ccc1C2
InChIInChI=1S/C25H30/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19/h11-14,16-19H,1-10,15H2
InChIKeyYEDAWJUBQJSUQC-UHFFFAOYSA-N
MW330.51 g/mol
LogP7.35
Rot. Bonds2

About 3,6-dicyclohexyl-9H-fluorene

3,6-dicyclohexyl-9H-fluorene (PubChem CID 87146028) has the molecular formula C25H30 and a molecular weight of 330.51 g/mol. Its IUPAC name is 3,6-dicyclohexyl-9H-fluorene.

Molecular Properties

Compound Name3,6-dicyclohexyl-9H-fluorene
PubChem CID87146028
Molecular FormulaC25H30
Molecular Weight330.51 g/mol
Exact Mass330.23
IUPAC Name3,6-dicyclohexyl-9H-fluorene
SMILESc1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)ccc1C2
InChIInChI=1S/C25H30/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19/h11-14,16-19H,1-10,15H2
InChIKeyYEDAWJUBQJSUQC-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174745182
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CID 59801079
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
2,3-dicyclohexyl-9H-fluorene
CID 21095222
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2,6-dicyclopentylnaphthalene
CID 91354429
8-cyclohexyl-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 82159405
8-cyclohexyl-4,5-dihydro-2-benzazepine-1,3-dione
CID 82159815
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
4-cyclohexylbenzene-1,2-dithiol
CID 22497894
1,3,5-tricyclopentylbenzene
CID 611596
1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844

Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclohexyl-9H-fluorene?
The IUPAC name of 3,6-dicyclohexyl-9H-fluorene (CID 87146028) is 3,6-dicyclohexyl-9H-fluorene.
What is the SMILES notation for 3,6-dicyclohexyl-9H-fluorene?
The canonical SMILES for 3,6-dicyclohexyl-9H-fluorene is c1cc2c(cc1C1CCCCC1)-c1cc(C3CCCCC3)ccc1C2.
What is the InChIKey of 3,6-dicyclohexyl-9H-fluorene?
The InChIKey is YEDAWJUBQJSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19/h11-14,16-19H,1-10,15H2.
What are the key properties of 3,6-dicyclohexyl-9H-fluorene?
3,6-dicyclohexyl-9H-fluorene has a molecular weight of 330.51 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclohexyl-9H-fluorene is sourced from PubChem (CID 87146028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).