2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene

C32H30 — CID 11069712

IUPAC2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene
SMILESCC1=Cc2ccc3ccccc3c2C1[C@H](C)[C@@H](C)C1C(C)=Cc2ccc3ccccc3c21
InChIInChI=1S/C32H30/c1-19-17-25-15-13-23-9-5-7-11-27(23)31(25)29(19)21(3)22(4)30-20(2)18-26-16-14-24-10-6-8-12-28(24)32(26)30/h5-18,21-22,29-30H,1-4H3/t21-,22-,29?,30?/m1/s1
InChIKeyHFXYAHJXAQFFMO-WWJCJQDFSA-N
MW414.59 g/mol
LogP8.97
Rot. Bonds3

About 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene

2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene (PubChem CID 11069712) has the molecular formula C32H30 and a molecular weight of 414.59 g/mol. Its IUPAC name is 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene
PubChem CID11069712
Molecular FormulaC32H30
Molecular Weight414.59 g/mol
Exact Mass414.23
IUPAC Name2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene
SMILESCC1=Cc2ccc3ccccc3c2C1[C@H](C)[C@@H](C)C1C(C)=Cc2ccc3ccccc3c21
InChIInChI=1S/C32H30/c1-19-17-25-15-13-23-9-5-7-11-27(23)31(25)29(19)21(3)22(4)30-20(2)18-26-16-14-24-10-6-8-12-28(24)32(26)30/h5-18,21-22,29-30H,1-4H3/t21-,22-,29?,30?/m1/s1
InChIKeyHFXYAHJXAQFFMO-WWJCJQDFSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene 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

1-cyclopenta-2,4-dien-1-yl-2-methyl-1H-cyclopenta[a]naphthalene;zirconium(3+);dichloride
CID 159869530
CID 87933524
CID 87933524
4-methyl-N-[(1R)-2-methyl-1H-cyclopenta[a]naphthalen-1-yl]benzenesulfonamide
CID 139184409
1-chloro-1H-cyclopropa[a]naphthalene
CID 67741182
(1S)-1-[(1R,2R)-2-(2-methoxynaphthalen-1-yl)cyclopropyl]ethanamine
CID 124552558
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
2,2-dimethyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]propan-1-ol
CID 139951457
CID 172736584
CID 172736584
phenanthrene;toluene
CID 158347700
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene (CID 11069712) is 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene is CC1=Cc2ccc3ccccc3c2C1[C@H](C)[C@@H](C)C1C(C)=Cc2ccc3ccccc3c21.
What is the InChIKey of 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene?
The InChIKey is HFXYAHJXAQFFMO-WWJCJQDFSA-N. The full InChI is InChI=1S/C32H30/c1-19-17-25-15-13-23-9-5-7-11-27(23)31(25)29(19)21(3)22(4)30-20(2)18-26-16-14-24-10-6-8-12-28(24)32(26)30/h5-18,21-22,29-30H,1-4H3/t21-,22-,29?,30?/m1/s1.
What are the key properties of 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene?
2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene has a molecular weight of 414.59 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R,3R)-3-(2-methyl-1H-cyclopenta[a]naphthalen-1-yl)butan-2-yl]-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 11069712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).