(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C25H36 — CID 59989769

IUPAC(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESc1ccc(C2CC[C@@H]3CCCCC23)c(CC2CC[C@@H]3CCCCC23)c1
InChIInChI=1S/C25H36/c1-4-10-22-18(7-1)13-14-21(22)17-20-9-3-6-12-24(20)25-16-15-19-8-2-5-11-23(19)25/h3,6,9,12,18-19,21-23,25H,1-2,4-5,7-8,10-11,13-17H2/t18-,19-,21?,22?,23?,25?/m0/s1
InChIKeyXZZYZNCHVVLXCX-PXZJSKCZSA-N
MW336.56 g/mol
LogP7.13
Rot. Bonds3

About (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 59989769) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID59989769
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESc1ccc(C2CC[C@@H]3CCCCC23)c(CC2CC[C@@H]3CCCCC23)c1
InChIInChI=1S/C25H36/c1-4-10-22-18(7-1)13-14-21(22)17-20-9-3-6-12-24(20)25-16-15-19-8-2-5-11-23(19)25/h3,6,9,12,18-19,21-23,25H,1-2,4-5,7-8,10-11,13-17H2/t18-,19-,21?,22?,23?,25?/m0/s1
InChIKeyXZZYZNCHVVLXCX-PXZJSKCZSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-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

(1R)-1-[2-[[(1R)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 58591794
2,3,4,4a,4b,5,10b,11,12,12a-decahydro-1H-naphtho[1,2-c]thiochromene
CID 158511904
ethane;6-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
CID 90721332
1-[2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;zirconium(4+)
CID 23230200
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methanol
CID 130831326
2-iodotricyclo[9.4.0.03,8]pentadeca-1(15),11,13-triene
CID 139448646
chlororuthenium;1-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(triphenylphosphane)
CID 171369681
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
1-ethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;propane
CID 143787282
1-phenylmethoxy-2-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 174511423
1-[(2-methylcyclohexyl)methyl]-2-[2-[(2-methylcyclohexyl)methyl]phenyl]sulfanylbenzene
CID 141375950
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468

Frequently Asked Questions

What is the IUPAC name of (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 59989769) is (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is c1ccc(C2CC[C@@H]3CCCCC23)c(CC2CC[C@@H]3CCCCC23)c1.
What is the InChIKey of (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is XZZYZNCHVVLXCX-PXZJSKCZSA-N. The full InChI is InChI=1S/C25H36/c1-4-10-22-18(7-1)13-14-21(22)17-20-9-3-6-12-24(20)25-16-15-19-8-2-5-11-23(19)25/h3,6,9,12,18-19,21-23,25H,1-2,4-5,7-8,10-11,13-17H2/t18-,19-,21?,22?,23?,25?/m0/s1.
What are the key properties of (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
(3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 336.56 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-1-[2-[[(3aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 59989769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).