2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]

C28H25Cl — CID 169099363

IUPAC2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1ccc2c(c1)C1(c3cc(-c4ccccc4)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-23-7-9-25-24-8-6-20(19-4-2-1-3-5-19)15-26(24)28(27(25)16-23)21-11-17-10-18(13-21)14-22(28)12-17/h1-9,15-18,21-22H,10-14H2
InChIKeyWGKBBGQKWTVWFR-UHFFFAOYSA-N
MW396.96 g/mol
LogP7.73
Rot. Bonds1

About 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]

2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene] (PubChem CID 169099363) has the molecular formula C28H25Cl and a molecular weight of 396.96 g/mol. Its IUPAC name is 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
PubChem CID169099363
Molecular FormulaC28H25Cl
Molecular Weight396.96 g/mol
Exact Mass396.16
IUPAC Name2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1ccc2c(c1)C1(c3cc(-c4ccccc4)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-23-7-9-25-24-8-6-20(19-4-2-1-3-5-19)15-26(24)28(27(25)16-23)21-11-17-10-18(13-21)14-22(28)12-17/h1-9,15-18,21-22H,10-14H2
InChIKeyWGKBBGQKWTVWFR-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

2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099361
2,4-diphenyl-6-[2-(2-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-1,3,5-triazine
CID 164811663
2-phenyl-4-(3-phenylphenyl)-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353491
1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803766
9-(7'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)carbazole
CID 156578319
2',7'-bis(3-chlorophenyl)spiro[adamantane-2,9'-fluorene];deuteriomethane;(4,6-diphenyl-1,3,5-triazin-2-yl)boronic acid;2-[3-[7'-[3-(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;methane
CID 165012997
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
2-[3-(4-methylphenyl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 147428060
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]?
The IUPAC name of 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene] (CID 169099363) is 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene] is Clc1ccc2c(c1)C1(c3cc(-c4ccccc4)ccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]?
The InChIKey is WGKBBGQKWTVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl/c29-23-7-9-25-24-8-6-20(19-4-2-1-3-5-19)15-26(24)28(27(25)16-23)21-11-17-10-18(13-21)14-22(28)12-17/h1-9,15-18,21-22H,10-14H2.
What are the key properties of 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]?
2'-chloro-7'-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 2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 169099363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).