3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]

C27H24 — CID 123767727

IUPAC3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]
SMILESCCC(C)=CC1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C27H24/c1-4-18(2)17-26-19(3)20-11-5-8-14-23(20)27(26)24-15-9-6-12-21(24)22-13-7-10-16-25(22)27/h5-17H,4H2,1-3H3
InChIKeyNQSOMZRUHXYCGS-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.14
Rot. Bonds2

About 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]

3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] (PubChem CID 123767727) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene].

Molecular Properties

Compound Name3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]
PubChem CID123767727
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]
SMILESCCC(C)=CC1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C27H24/c1-4-18(2)17-26-19(3)20-11-5-8-14-23(20)27(26)24-15-9-6-12-21(24)22-13-7-10-16-25(22)27/h5-17H,4H2,1-3H3
InChIKeyNQSOMZRUHXYCGS-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] 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

2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
CID 154561467
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine
CID 154947548
1-methyl-2-(2-methylbut-1-enyl)benzene
CID 123992258
3-[3-[3-(3'-methyl-2'-prop-1-enylspiro[fluorene-9,1'-indene]-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 123374086
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
1-[(1E)-1-(3'-methylspiro[fluorene-9,1'-indene]-2'-yl)buta-1,3-dien-2-yl]-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
CID 174354376
9,9-diphenylfluorene;propane
CID 158205050
N,N-dimethylethanamine;9,9'-spirobi[fluorene]
CID 165010246
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]?
The IUPAC name of 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] (CID 123767727) is 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene].
What is the SMILES notation for 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]?
The canonical SMILES for 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] is CCC(C)=CC1=C(C)c2ccccc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]?
The InChIKey is NQSOMZRUHXYCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-4-18(2)17-26-19(3)20-11-5-8-14-23(20)27(26)24-15-9-6-12-21(24)22-13-7-10-16-25(22)27/h5-17H,4H2,1-3H3.
What are the key properties of 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene]?
3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] has a molecular weight of 348.49 g/mol, XLogP of 7.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-2'-(2-methylbut-1-enyl)spiro[fluorene-9,1'-indene] is sourced from PubChem (CID 123767727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).