1-(3-methylidenecyclohexyl)-9H-fluorene

C20H20 — CID 175175773

IUPAC1-(3-methylidenecyclohexyl)-9H-fluorene
SMILESC=C1CCCC(c2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C20H20/c1-14-6-4-8-15(12-14)18-10-5-11-19-17-9-3-2-7-16(17)13-20(18)19/h2-3,5,7,9-11,15H,1,4,6,8,12-13H2
InChIKeyNGIHQBKUCDHDOR-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.47
Rot. Bonds1

About 1-(3-methylidenecyclohexyl)-9H-fluorene

1-(3-methylidenecyclohexyl)-9H-fluorene (PubChem CID 175175773) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-methylidenecyclohexyl)-9H-fluorene.

Molecular Properties

Compound Name1-(3-methylidenecyclohexyl)-9H-fluorene
PubChem CID175175773
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name1-(3-methylidenecyclohexyl)-9H-fluorene
SMILESC=C1CCCC(c2cccc3c2Cc2ccccc2-3)C1
InChIInChI=1S/C20H20/c1-14-6-4-8-15(12-14)18-10-5-11-19-17-9-3-2-7-16(17)13-20(18)19/h2-3,5,7,9-11,15H,1,4,6,8,12-13H2
InChIKeyNGIHQBKUCDHDOR-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
3-(9H-fluoren-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 150882021
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2-(9H-fluoren-1-yl)piperidin-1-yl]-2-methylprop-2-en-1-one
CID 151393743
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
CID 123562270
CID 123562270
5-(2-cyclobutylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 114606074
acetylene;2-(9H-fluoren-1-yl)-2H-pyrrole
CID 144815716
Fluorenylsilane
CID 22104606
1-(1-phenylethenyl)-9H-fluorene
CID 151698887
2,3-dicyclohexyl-9H-fluorene
CID 21095222

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenecyclohexyl)-9H-fluorene?
The IUPAC name of 1-(3-methylidenecyclohexyl)-9H-fluorene (CID 175175773) is 1-(3-methylidenecyclohexyl)-9H-fluorene.
What is the SMILES notation for 1-(3-methylidenecyclohexyl)-9H-fluorene?
The canonical SMILES for 1-(3-methylidenecyclohexyl)-9H-fluorene is C=C1CCCC(c2cccc3c2Cc2ccccc2-3)C1.
What is the InChIKey of 1-(3-methylidenecyclohexyl)-9H-fluorene?
The InChIKey is NGIHQBKUCDHDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-14-6-4-8-15(12-14)18-10-5-11-19-17-9-3-2-7-16(17)13-20(18)19/h2-3,5,7,9-11,15H,1,4,6,8,12-13H2.
What are the key properties of 1-(3-methylidenecyclohexyl)-9H-fluorene?
1-(3-methylidenecyclohexyl)-9H-fluorene has a molecular weight of 260.38 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclohexyl)-9H-fluorene is sourced from PubChem (CID 175175773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).