9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene

C31H38 — CID 20624604

IUPAC9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene
SMILESCC1(C)CC(C2=CC(C(C)(C)C3=c4ccccc4=C4C=CC=CC43)C=C2)CC(C)(C)C1
InChIInChI=1S/C31H38/c1-29(2)18-22(19-30(3,4)20-29)21-15-16-23(17-21)31(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-17,22-23,26H,18-20H2,1-6H3
InChIKeyGCNLNAOBIRQAGF-UHFFFAOYSA-N
MW410.65 g/mol
LogP6.73
Rot. Bonds3

About 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene

9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene (PubChem CID 20624604) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene.

Molecular Properties

Compound Name9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene
PubChem CID20624604
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene
SMILESCC1(C)CC(C2=CC(C(C)(C)C3=c4ccccc4=C4C=CC=CC43)C=C2)CC(C)(C)C1
InChIInChI=1S/C31H38/c1-29(2)18-22(19-30(3,4)20-29)21-15-16-23(17-21)31(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-17,22-23,26H,18-20H2,1-6H3
InChIKeyGCNLNAOBIRQAGF-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene with MolForge

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Related Compounds

9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240365
8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223274
9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240363
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-1,1,3,3-tetramethylcyclohexane
CID 90892008
1-azahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaene
CID 174993115
9-[1-(8aH-fluoren-9-yl)ethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173217036
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
[1-methyl-4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]-phenylmethanone
CID 142084746
7b-methyl-1,1a-dihydrocyclopropa[a]naphthalene
CID 142093034
9-[3-(8aH-fluoren-9-yl)propyl]-9H-fluorene;zirconium(2+);dichloride
CID 173167014
(1aS,3aR)-1,1,3-trimethyl-1a,3a-dihydrocyclopropa[a]naphthalene
CID 98043433

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene?
The IUPAC name of 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene (CID 20624604) is 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene.
What is the SMILES notation for 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene?
The canonical SMILES for 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene is CC1(C)CC(C2=CC(C(C)(C)C3=c4ccccc4=C4C=CC=CC43)C=C2)CC(C)(C)C1.
What is the InChIKey of 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene?
The InChIKey is GCNLNAOBIRQAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38/c1-29(2)18-22(19-30(3,4)20-29)21-15-16-23(17-21)31(5,6)28-26-13-9-7-11-24(26)25-12-8-10-14-27(25)28/h7-17,22-23,26H,18-20H2,1-6H3.
What are the key properties of 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene?
9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene has a molecular weight of 410.65 g/mol, XLogP of 6.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(3,3,5,5-tetramethylcyclohexyl)cyclopenta-2,4-dien-1-yl]propan-2-yl]-8aH-fluorene is sourced from PubChem (CID 20624604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).