9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene

C34H32 — CID 139240365

IUPAC9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
SMILESCc1ccccc1C(C)(C)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21
InChIInChI=1S/C34H32/c1-23-12-4-11-19-32(23)34(2,3)33-22-24(25-13-5-10-18-31(25)33)20-21-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h4-19,22,28,33H,20-21H2,1-3H3
InChIKeyIKNNTHAKUOUDQA-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.99
Rot. Bonds5

About 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene

9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene (PubChem CID 139240365) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene.

Molecular Properties

Compound Name9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
PubChem CID139240365
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
SMILESCc1ccccc1C(C)(C)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21
InChIInChI=1S/C34H32/c1-23-12-4-11-19-32(23)34(2,3)33-22-24(25-13-5-10-18-31(25)33)20-21-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h4-19,22,28,33H,20-21H2,1-3H3
InChIKeyIKNNTHAKUOUDQA-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene with MolForge

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Related Compounds

9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240363
9-[3-(8aH-fluoren-9-yl)propyl]-9H-fluorene;zirconium(2+);dichloride
CID 173167014
9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene
CID 135489716
9-[1-(8aH-fluoren-9-yl)ethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173217036
8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223274
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
CID 173310572
9-propan-2-yl-4aH-fluorene
CID 59892983
9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene
CID 20624604
9-[6-(8aH-fluoren-9-yl)decan-5-yl]-9H-fluorene;zirconium(2+);dichloride
CID 173317544
9-[2-(8aH-fluoren-9-yl)-1,2-diphenylethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173317651
3-methyl-1-[2-(3-methyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 18670048

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene?
The IUPAC name of 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene (CID 139240365) is 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene.
What is the SMILES notation for 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene?
The canonical SMILES for 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene is Cc1ccccc1C(C)(C)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21.
What is the InChIKey of 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene?
The InChIKey is IKNNTHAKUOUDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-23-12-4-11-19-32(23)34(2,3)33-22-24(25-13-5-10-18-31(25)33)20-21-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h4-19,22,28,33H,20-21H2,1-3H3.
What are the key properties of 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene?
9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene has a molecular weight of 440.63 g/mol, XLogP of 6.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene is sourced from PubChem (CID 139240365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).