9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C34H50 — CID 123653723

IUPAC9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(c1ccccc1)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C34H50/c1-34(23-13-3-2-4-14-23,32-28-19-9-5-15-24(28)25-16-6-10-20-29(25)32)33-30-21-11-7-17-26(30)27-18-8-12-22-31(27)33/h2-4,13-14,24-33H,5-12,15-22H2,1H3
InChIKeyUYTFCBYWVFSYFG-UHFFFAOYSA-N
MW458.77 g/mol
LogP9.43
Rot. Bonds3

About 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 123653723) has the molecular formula C34H50 and a molecular weight of 458.77 g/mol. Its IUPAC name is 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID123653723
Molecular FormulaC34H50
Molecular Weight458.77 g/mol
Exact Mass458.39
IUPAC Name9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(c1ccccc1)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C34H50/c1-34(23-13-3-2-4-14-23,32-28-19-9-5-15-24(28)25-16-6-10-20-29(25)32)33-30-21-11-7-17-26(30)27-18-8-12-22-31(27)33/h2-4,13-14,24-33H,5-12,15-22H2,1H3
InChIKeyUYTFCBYWVFSYFG-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.77
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene 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

(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 58883143
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
tert-butylbenzene;cyclohexylbenzene
CID 158089404
tert-butylbenzene;methanamine;7-thiabicyclo[4.1.0]heptane
CID 174813455
(1-cyclohex-2-en-1-yl-1-cyclohexylethyl)benzene
CID 163504320
cyclohexanamine;diphenylmethanediamine
CID 175293358
7-(2-phenylpropan-2-yl)bicyclo[4.1.0]heptan-7-amine
CID 79331599
9-[cyclopentyl(diphenyl)methyl]-2,3,6,7-tetramethyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 140850336
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
(2-cyclopentyl-1,3-dimethoxypropan-2-yl)benzene
CID 150061832
2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
CID 69422386

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 123653723) is 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is CC(c1ccccc1)(C1C2CCCCC2C2CCCCC21)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is UYTFCBYWVFSYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50/c1-34(23-13-3-2-4-14-23,32-28-19-9-5-15-24(28)25-16-6-10-20-29(25)32)33-30-21-11-7-17-26(30)27-18-8-12-22-31(27)33/h2-4,13-14,24-33H,5-12,15-22H2,1H3.
What are the key properties of 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 458.77 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 123653723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).