5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]

C28H25Cl — CID 169099361

IUPAC5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1cccc2c1-c1ccc(-c3ccccc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-26-8-4-7-24-27(26)23-10-9-20(19-5-2-1-3-6-19)16-25(23)28(24)21-12-17-11-18(14-21)15-22(28)13-17/h1-10,16-18,21-22H,11-15H2
InChIKeyAWGSXOSJNLPQBK-UHFFFAOYSA-N
MW396.96 g/mol
LogP7.73
Rot. Bonds1

About 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]

5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene] (PubChem CID 169099361) has the molecular formula C28H25Cl and a molecular weight of 396.96 g/mol. Its IUPAC name is 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
PubChem CID169099361
Molecular FormulaC28H25Cl
Molecular Weight396.96 g/mol
Exact Mass396.16
IUPAC Name5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1cccc2c1-c1ccc(-c3ccccc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-26-8-4-7-24-27(26)23-10-9-20(19-5-2-1-3-6-19)16-25(23)28(24)21-12-17-11-18(14-21)15-22(28)13-17/h1-10,16-18,21-22H,11-15H2
InChIKeyAWGSXOSJNLPQBK-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803722
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
2-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine;2-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[6'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[7'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 165103822
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164969449
2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]-4,6-diphenyl-1,3,5-triazine;2-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]-4,6-diphenyl-1,3,5-triazine;2-[4-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165062913
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-[4-[7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]benzonitrile
CID 168798558
2-[3-[5'-(4-isocyanophenyl)spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168798631
2-phenyl-4-(3-phenylphenyl)-6-[3-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176794359
2-(4-fluoranthen-8-ylphenyl)-4-phenyl-6-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine
CID 166017987
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456

Frequently Asked Questions

What is the IUPAC name of 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]?
The IUPAC name of 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene] (CID 169099361) is 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene] is Clc1cccc2c1-c1ccc(-c3ccccc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]?
The InChIKey is AWGSXOSJNLPQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl/c29-26-8-4-7-24-27(26)23-10-9-20(19-5-2-1-3-6-19)16-25(23)28(24)21-12-17-11-18(14-21)15-22(28)13-17/h1-10,16-18,21-22H,11-15H2.
What are the key properties of 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]?
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene] has a molecular weight of 396.96 g/mol, XLogP of 7.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 169099361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).