4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole

C30H27N — CID 164940878

IUPAC4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
SMILESc1ccc2c(c1)-c1c(-c3cccc4[nH]ccc34)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C30H27N/c1-2-8-26-25(5-1)29-24(22-6-4-10-28-23(22)11-12-31-28)7-3-9-27(29)30(26)20-14-18-13-19(16-20)17-21(30)15-18/h1-12,18-21,31H,13-17H2
InChIKeyDEOXBPPRZVIUNF-UHFFFAOYSA-N
MW401.55 g/mol
LogP7.56
Rot. Bonds1

About 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole

4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole (PubChem CID 164940878) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole.

Molecular Properties

Compound Name4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
PubChem CID164940878
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
SMILESc1ccc2c(c1)-c1c(-c3cccc4[nH]ccc34)cccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C30H27N/c1-2-8-26-25(5-1)29-24(22-6-4-10-28-23(22)11-12-31-28)7-3-9-27(29)30(26)20-14-18-13-19(16-20)17-21(30)15-18/h1-12,18-21,31H,13-17H2
InChIKeyDEOXBPPRZVIUNF-UHFFFAOYSA-N
XLogP7.56
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
CID 164940769
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
7-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)-1H-indole
CID 167165207
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456
4'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808869
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
N-(4-methylphenyl)-N-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-4'-ylaniline
CID 158686920
N-[4-(3-deuteriophenyl)phenyl]-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)phenyl]aniline
CID 157230835
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
N-(4-tert-butylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 166807941
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192

Frequently Asked Questions

What is the IUPAC name of 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole?
The IUPAC name of 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole (CID 164940878) is 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole.
What is the SMILES notation for 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole?
The canonical SMILES for 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole is c1ccc2c(c1)-c1c(-c3cccc4[nH]ccc34)cccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole?
The InChIKey is DEOXBPPRZVIUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-2-8-26-25(5-1)29-24(22-6-4-10-28-23(22)11-12-31-28)7-3-9-27(29)30(26)20-14-18-13-19(16-20)17-21(30)15-18/h1-12,18-21,31H,13-17H2.
What are the key properties of 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole?
4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole has a molecular weight of 401.55 g/mol, XLogP of 7.56, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole is sourced from PubChem (CID 164940878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).