10-iodospiro[acridine-9,2'-adamantane]

C22H22IN — CID 163688749

IUPAC10-iodospiro[acridine-9,2'-adamantane]
SMILESIN1c2ccccc2C2(c3ccccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C22H22IN/c23-24-20-7-3-1-5-18(20)22(19-6-2-4-8-21(19)24)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2
InChIKeyJRDSDOLVWMZXNW-UHFFFAOYSA-N
MW427.33 g/mol
LogP6.23
Rot. Bonds

About 10-iodospiro[acridine-9,2'-adamantane]

10-iodospiro[acridine-9,2'-adamantane] (PubChem CID 163688749) has the molecular formula C22H22IN and a molecular weight of 427.33 g/mol. Its IUPAC name is 10-iodospiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-iodospiro[acridine-9,2'-adamantane]
PubChem CID163688749
Molecular FormulaC22H22IN
Molecular Weight427.33 g/mol
Exact Mass427.08
IUPAC Name10-iodospiro[acridine-9,2'-adamantane]
SMILESIN1c2ccccc2C2(c3ccccc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C22H22IN/c23-24-20-7-3-1-5-18(20)22(19-6-2-4-8-21(19)24)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2
InChIKeyJRDSDOLVWMZXNW-UHFFFAOYSA-N
XLogP6.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(2-methylphenyl)adamantane
CID 173019574
[3-[4,6-di(spiro[acridine-9,2'-adamantane]-10-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 171600909
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832
CID 101100305
CID 101100305
CID 165165371
CID 165165371
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
10-[4-[3-(2-phenylpropan-2-yl)phenyl]-6-spiro[acridine-9,2'-adamantane]-10-yl-1,3,5-triazin-2-yl]spiro[acridine-9,2'-adamantane]
CID 163853428
2-phenyl-5-[3-[3-(10-phenylspiro[acridine-9,2'-adamantane]-3-yl)phenyl]phenyl]-1,3,4-oxadiazole
CID 166018027
2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947

Frequently Asked Questions

What is the IUPAC name of 10-iodospiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-iodospiro[acridine-9,2'-adamantane] (CID 163688749) is 10-iodospiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-iodospiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-iodospiro[acridine-9,2'-adamantane] is IN1c2ccccc2C2(c3ccccc31)C1CC3CC(C1)CC2C3.
What is the InChIKey of 10-iodospiro[acridine-9,2'-adamantane]?
The InChIKey is JRDSDOLVWMZXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN/c23-24-20-7-3-1-5-18(20)22(19-6-2-4-8-21(19)24)16-10-14-9-15(12-16)13-17(22)11-14/h1-8,14-17H,9-13H2.
What are the key properties of 10-iodospiro[acridine-9,2'-adamantane]?
10-iodospiro[acridine-9,2'-adamantane] has a molecular weight of 427.33 g/mol, XLogP of 6.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-iodospiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163688749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).