1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene

C24H24 — CID 143254397

IUPAC1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene
SMILESCC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C
InChIInChI=1S/C24H24/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24/h5-9,11-14,20H,10H2,1-4H3
InChIKeyQTYBQPIUUJCNOM-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.69
Rot. Bonds1

About 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene

1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene (PubChem CID 143254397) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene.

Molecular Properties

Compound Name1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene
PubChem CID143254397
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene
SMILESCC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C
InChIInChI=1S/C24H24/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24/h5-9,11-14,20H,10H2,1-4H3
InChIKeyQTYBQPIUUJCNOM-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene 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-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene;ethane
CID 143254396
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
1-(4-chlorophenyl)-2,3-dimethylnaphthalene
CID 123950118
9-(4-methylphenyl)-1,10a-dihydrophenanthrene
CID 143963647
9-methylanthracene;naphthalene
CID 142881908
ethane;methane;9-methylphenanthrene
CID 144916914
ethane;methane;9-methylphenanthrene
CID 169171289
10,15-dimethyl-12,13-dithiapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 57370960
10-methyl-1,12b-dihydrotriphenylene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene
CID 159798458
ethane;9-methylanthracene;naphthalene
CID 161226057
1-methyl-2-(2,3,5-trimethylcyclopenta-1,3-dien-1-yl)naphthalene
CID 23015278
3,4-dimethyl-1H-indeno[2,1-b]pyridine
CID 123647223

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene?
The IUPAC name of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene (CID 143254397) is 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene.
What is the SMILES notation for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene?
The canonical SMILES for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene is CC1=CC2CC=CC=C2C(c2c(C)c(C)cc3ccccc23)=C1C.
What is the InChIKey of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene?
The InChIKey is QTYBQPIUUJCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-15-13-19-9-5-7-11-21(19)23(17(15)3)24-18(4)16(2)14-20-10-6-8-12-22(20)24/h5-9,11-14,20H,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene?
1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-4a,5-dihydronaphthalen-1-yl)-2,3-dimethylnaphthalene is sourced from PubChem (CID 143254397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).