3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

C38H37Cl — CID 156573187

IUPAC3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CC(C)C3(c4ccccc4-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)ccc43)C(C1)C2
InChIInChI=1S/C38H37Cl/c1-22-15-24-17-23(2)38(27(16-22)18-24)33-8-6-5-7-29(33)32-19-25(10-14-34(32)38)26-9-12-30-31-13-11-28(39)21-36(31)37(3,4)35(30)20-26/h5-14,19-24,27H,15-18H2,1-4H3
InChIKeyMZHUBSRRFXYJPA-UHFFFAOYSA-N
MW529.17 g/mol
LogP10.67
Rot. Bonds1

About 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]

3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (PubChem CID 156573187) has the molecular formula C38H37Cl and a molecular weight of 529.17 g/mol. Its IUPAC name is 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].

Molecular Properties

Compound Name3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
PubChem CID156573187
Molecular FormulaC38H37Cl
Molecular Weight529.17 g/mol
Exact Mass528.26
IUPAC Name3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
SMILESCC1CC2CC(C)C3(c4ccccc4-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)ccc43)C(C1)C2
InChIInChI=1S/C38H37Cl/c1-22-15-24-17-23(2)38(27(16-22)18-24)33-8-6-5-7-29(33)32-19-25(10-14-34(32)38)26-9-12-30-31-13-11-28(39)21-36(31)37(3,4)35(30)20-26/h5-14,19-24,27H,15-18H2,1-4H3
InChIKeyMZHUBSRRFXYJPA-UHFFFAOYSA-N
XLogP10.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.17
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] with MolForge

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Related Compounds

6'-chloro-2'-(9,9-dimethylfluoren-3-yl)-7-ethyl-3-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 170046374
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 155393732
2-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 167162779
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
(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
CID 168722463
2-bromo-7-chloro-9,9-dimethylfluorene;3'-(7-chloro-9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,2-dioxaborolane
CID 159480942
N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-(4-phenylphenyl)-2-spiro[cyclopentane-1,9'-fluorene]-3'-ylaniline
CID 168723031
2'-(4-chlorophenyl)-7-methylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 166808088
(1R,2R,3S,7R)-N-[3-[3-[(2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]phenyl]-3,7-dimethyl-N-(4-phenylphenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 174061394
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
(1S,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,5-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
CID 168722810
(1R,2R,3S,7R)-3,7-dimethyl-N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 174061376

Frequently Asked Questions

What is the IUPAC name of 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The IUPAC name of 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] (CID 156573187) is 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene].
What is the SMILES notation for 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The canonical SMILES for 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is CC1CC2CC(C)C3(c4ccccc4-c4cc(-c5ccc6c(c5)C(C)(C)c5cc(Cl)ccc5-6)ccc43)C(C1)C2.
What is the InChIKey of 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
The InChIKey is MZHUBSRRFXYJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl/c1-22-15-24-17-23(2)38(27(16-22)18-24)33-8-6-5-7-29(33)32-19-25(10-14-34(32)38)26-9-12-30-31-13-11-28(39)21-36(31)37(3,4)35(30)20-26/h5-14,19-24,27H,15-18H2,1-4H3.
What are the key properties of 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]?
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] has a molecular weight of 529.17 g/mol, XLogP of 10.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene] is sourced from PubChem (CID 156573187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).