2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

C28H27Cl — CID 166808088

IUPAC2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4ccc(-c5ccc(Cl)cc5)cc43)C(C1)C2
InChIInChI=1S/C28H27Cl/c1-18-14-19-12-13-28(22(15-18)16-19)26-5-3-2-4-24(26)25-11-8-21(17-27(25)28)20-6-9-23(29)10-7-20/h2-11,17-19,22H,12-16H2,1H3
InChIKeyOKJHOXVEGJZKBX-UHFFFAOYSA-N
MW398.98 g/mol
LogP8.12
Rot. Bonds1

About 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (PubChem CID 166808088) has the molecular formula C28H27Cl and a molecular weight of 398.98 g/mol. Its IUPAC name is 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].

Molecular Properties

Compound Name2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
PubChem CID166808088
Molecular FormulaC28H27Cl
Molecular Weight398.98 g/mol
Exact Mass398.18
IUPAC Name2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CCC3(c4ccccc4-c4ccc(-c5ccc(Cl)cc5)cc43)C(C1)C2
InChIInChI=1S/C28H27Cl/c1-18-14-19-12-13-28(22(15-18)16-19)26-5-3-2-4-24(26)25-11-8-21(17-27(25)28)20-6-9-23(29)10-7-20/h2-11,17-19,22H,12-16H2,1H3
InChIKeyOKJHOXVEGJZKBX-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-chloro-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819571
7'-methylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene-22,2'-bicyclo[3.3.1]nonane]
CID 164819376
N-(1-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 164819543
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 156573187
N-(3-chloronaphthalen-2-yl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-amine
CID 164819461
2-(5-chloro-2-phenylphenyl)-7-methylbicyclo[3.3.1]nonan-2-ol
CID 164819418
4,4,5,5-tetramethyl-2-(7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)-1,3,2-dioxaborolane
CID 164819559
7-methyl-1'-(3-nitronaphthalen-2-yl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819440
N-[4-[(1R,2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-4-phenylaniline
CID 168722482
7-methyl-4'-(2-nitrophenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 164819532
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363

Frequently Asked Questions

What is the IUPAC name of 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The IUPAC name of 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (CID 166808088) is 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].
What is the SMILES notation for 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The canonical SMILES for 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is CC1CC2CCC3(c4ccccc4-c4ccc(-c5ccc(Cl)cc5)cc43)C(C1)C2.
What is the InChIKey of 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The InChIKey is OKJHOXVEGJZKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl/c1-18-14-19-12-13-28(22(15-18)16-19)26-5-3-2-4-24(26)25-11-8-21(17-27(25)28)20-6-9-23(29)10-7-20/h2-11,17-19,22H,12-16H2,1H3.
What are the key properties of 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] has a molecular weight of 398.98 g/mol, XLogP of 8.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is sourced from PubChem (CID 166808088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).