9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene

C26H28 — CID 145486222

IUPAC9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene
SMILESC1=CC(C2(C3CCCCCC3)c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C26H28/c1-2-5-13-20(12-4-1)26(21-14-6-3-7-15-21)24-18-10-8-16-22(24)23-17-9-11-19-25(23)26/h6,8-11,14-20H,1-5,7,12-13H2
InChIKeySCTZDDNKQBBNKJ-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.20
Rot. Bonds2

About 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene

9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene (PubChem CID 145486222) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene.

Molecular Properties

Compound Name9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene
PubChem CID145486222
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene
SMILESC1=CC(C2(C3CCCCCC3)c3ccccc3-c3ccccc32)=CCC1
InChIInChI=1S/C26H28/c1-2-5-13-20(12-4-1)26(21-14-6-3-7-15-21)24-18-10-8-16-22(24)23-17-9-11-19-25(23)26/h6,8-11,14-20H,1-5,7,12-13H2
InChIKeySCTZDDNKQBBNKJ-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-cyclopentyl-9-phenylfluorene
CID 59853281
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
9-cyclohexa-1,5-dien-1-yl-4,9-diphenylfluorene
CID 142347056
2-bromospiro[cyclohexane-1,9'-fluorene]
CID 69346071
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171
(1S,6R)-spiro[bicyclo[4.2.0]oct-2-ene-8,9'-fluorene]-7-one
CID 134919081
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
CID 144774189
9-cyclohexa-1,5-dien-1-yl-N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 167297491
[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
CID 125469948

Frequently Asked Questions

What is the IUPAC name of 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene?
The IUPAC name of 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene (CID 145486222) is 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene.
What is the SMILES notation for 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene?
The canonical SMILES for 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene is C1=CC(C2(C3CCCCCC3)c3ccccc3-c3ccccc32)=CCC1.
What is the InChIKey of 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene?
The InChIKey is SCTZDDNKQBBNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-2-5-13-20(12-4-1)26(21-14-6-3-7-15-21)24-18-10-8-16-22(24)23-17-9-11-19-25(23)26/h6,8-11,14-20H,1-5,7,12-13H2.
What are the key properties of 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene?
9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene has a molecular weight of 340.51 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cycloheptyl-9-cyclohexa-1,5-dien-1-ylfluorene is sourced from PubChem (CID 145486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).