2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]

C28H25Cl — CID 168798512

IUPAC2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1cc(-c2ccccc2)c2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-22-15-24(19-6-2-1-3-7-19)27-23-8-4-5-9-25(23)28(26(27)16-22)20-11-17-10-18(13-20)14-21(28)12-17/h1-9,15-18,20-21H,10-14H2
InChIKeyKMCCZUUVQHKQPN-UHFFFAOYSA-N
MW396.96 g/mol
LogP7.73
Rot. Bonds1

About 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]

2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene] (PubChem CID 168798512) has the molecular formula C28H25Cl and a molecular weight of 396.96 g/mol. Its IUPAC name is 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
PubChem CID168798512
Molecular FormulaC28H25Cl
Molecular Weight396.96 g/mol
Exact Mass396.16
IUPAC Name2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
SMILESClc1cc(-c2ccccc2)c2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C28H25Cl/c29-22-15-24(19-6-2-1-3-7-19)27-23-8-4-5-9-25(23)28(26(27)16-22)20-11-17-10-18(13-20)14-21(28)12-17/h1-9,15-18,20-21H,10-14H2
InChIKeyKMCCZUUVQHKQPN-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

4-(4'-phenylspiro[adamantane-2,9'-fluorene]-2'-yl)benzonitrile
CID 168798414
3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
CID 170085615
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
2-[4-(12',12'-dimethylspiro[adamantane-2,7'-indeno[1,2-a]fluorene]-5'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168834362
N-[4-(3-deuteriophenyl)phenyl]-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)phenyl]aniline
CID 157230835
2-[4-[5'-[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
CID 164819010
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099361
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155409043
2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176793720

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]?
The IUPAC name of 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene] (CID 168798512) is 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene] is Clc1cc(-c2ccccc2)c2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]?
The InChIKey is KMCCZUUVQHKQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl/c29-22-15-24(19-6-2-1-3-7-19)27-23-8-4-5-9-25(23)28(26(27)16-22)20-11-17-10-18(13-20)14-21(28)12-17/h1-9,15-18,20-21H,10-14H2.
What are the key properties of 2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]?
2'-chloro-4'-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-4'-phenylspiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 168798512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).