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

C30H27N — CID 164940769

IUPAC4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
SMILESc1ccc2c(c1)-c1ccc(-c3cccc4[nH]ccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C30H27N/c1-2-6-27-24(4-1)25-9-8-20(23-5-3-7-29-26(23)10-11-31-29)17-28(25)30(27)21-13-18-12-19(15-21)16-22(30)14-18/h1-11,17-19,21-22,31H,12-16H2
InChIKeySPPKWFGNIFZDAR-UHFFFAOYSA-N
MW401.55 g/mol
LogP7.56
Rot. Bonds1

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

4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole (PubChem CID 164940769) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole.

Molecular Properties

Compound Name4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
PubChem CID164940769
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole
SMILESc1ccc2c(c1)-c1ccc(-c3cccc4[nH]ccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C30H27N/c1-2-6-27-24(4-1)25-9-8-20(23-5-3-7-29-26(23)10-11-31-29)17-28(25)30(27)21-13-18-12-19(15-21)16-22(30)14-18/h1-11,17-19,21-22,31H,12-16H2
InChIKeySPPKWFGNIFZDAR-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

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Related Compounds

4-spiro[adamantane-2,9'-fluorene]-4'-yl-1H-indole
CID 164940878
3-spiro[adamantane-2,9'-fluorene]-2'-yl-9H-carbazole
CID 156576981
12-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030894
7-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)-1H-indole
CID 167165207
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
8-phenyl-5-(4-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)isoquinoline
CID 166017802
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-spiro[adamantane-2,9'-fluorene]-2'-yl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-spiro[adamantane-2,9'-fluorene]-2'-yl-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylpyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 165101737
4-dibenzothiophen-4-yl-12-spiro[adamantane-2,9'-fluorene]-2'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170033676
2-(4-chloro-2,3-dimethylnaphthalen-1-yl)spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]
CID 155393697
4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031170
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636

Frequently Asked Questions

What is the IUPAC name of 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole?
The IUPAC name of 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole (CID 164940769) is 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole.
What is the SMILES notation for 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole?
The canonical SMILES for 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole is c1ccc2c(c1)-c1ccc(-c3cccc4[nH]ccc34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole?
The InChIKey is SPPKWFGNIFZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-2-6-27-24(4-1)25-9-8-20(23-5-3-7-29-26(23)10-11-31-29)17-28(25)30(27)21-13-18-12-19(15-21)16-22(30)14-18/h1-11,17-19,21-22,31H,12-16H2.
What are the key properties of 4-spiro[adamantane-2,9'-fluorene]-2'-yl-1H-indole?
4-spiro[adamantane-2,9'-fluorene]-2'-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]-2'-yl-1H-indole is sourced from PubChem (CID 164940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).