3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane

C25H32 — CID 143365139

IUPAC3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
SMILESCc1ccc(C2(C)CC3CC(C2)CC(C)(c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C25H32/c1-18-5-9-22(10-6-18)24(3)14-20-13-21(15-24)17-25(4,16-20)23-11-7-19(2)8-12-23/h5-12,20-21H,13-17H2,1-4H3
InChIKeyGFUJFVMUJYWGST-UHFFFAOYSA-N
MW332.53 g/mol
LogP6.73
Rot. Bonds2

About 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane

3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane (PubChem CID 143365139) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
PubChem CID143365139
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane
SMILESCc1ccc(C2(C)CC3CC(C2)CC(C)(c2ccc(C)cc2)C3)cc1
InChIInChI=1S/C25H32/c1-18-5-9-22(10-6-18)24(3)14-20-13-21(15-24)17-25(4,16-20)23-11-7-19(2)8-12-23/h5-12,20-21H,13-17H2,1-4H3
InChIKeyGFUJFVMUJYWGST-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane 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

3,7-dimethyl-3-(4-methylphenyl)bicyclo[3.3.1]nonane
CID 142150473
3,7-dimethyl-1,3,7-tris(4-methylphenyl)bicyclo[3.3.1]nonane
CID 143639532
[4-[(5S)-3-methyl-3-bicyclo[3.2.1]octanyl]phenyl]boronic acid
CID 174078495
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanamine
CID 1377968
3-(4-methylphenyl)-1-azatricyclo[3.3.1.13,7]decane
CID 166814628
N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-phenyl-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]aniline
CID 155421805
1-(4-methylphenyl)bicyclo[2.2.2]octane
CID 58390113
N-[4-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
(5S,7S)-N,N-dimethyl-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98115320
2,2,4,6,6-pentamethyl-4-[4-(4-methylphenyl)phenyl]piperidine
CID 171443253
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane?
The IUPAC name of 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane (CID 143365139) is 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane is Cc1ccc(C2(C)CC3CC(C2)CC(C)(c2ccc(C)cc2)C3)cc1.
What is the InChIKey of 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane?
The InChIKey is GFUJFVMUJYWGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-18-5-9-22(10-6-18)24(3)14-20-13-21(15-24)17-25(4,16-20)23-11-7-19(2)8-12-23/h5-12,20-21H,13-17H2,1-4H3.
What are the key properties of 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane?
3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane has a molecular weight of 332.53 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3,7-bis(4-methylphenyl)bicyclo[3.3.1]nonane is sourced from PubChem (CID 143365139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).