bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene

C64H64 — CID 160772436

IUPACbis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
SMILESCC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1cccc2cc3ccccc3cc12.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C19H16.C17H16.2C14H16/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12/h3-12H,1-2H3;3-12H,1-2H3;2*4-10H,1-3H3
InChIKeyRZMOHGAOJIMYDB-UHFFFAOYSA-N
MW833.22 g/mol
LogP19.37
Rot. Bonds4

About bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene

bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene (PubChem CID 160772436) has the molecular formula C64H64 and a molecular weight of 833.22 g/mol. Its IUPAC name is bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene.

Molecular Properties

Compound Namebis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
PubChem CID160772436
Molecular FormulaC64H64
Molecular Weight833.22 g/mol
Exact Mass832.50
IUPAC Namebis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
SMILESCC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1cccc2cc3ccccc3cc12.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1
InChIInChI=1S/C19H16.C17H16.2C14H16/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12/h3-12H,1-2H3;3-12H,1-2H3;2*4-10H,1-3H3
InChIKeyRZMOHGAOJIMYDB-UHFFFAOYSA-N
XLogP19.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.22
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene 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

7-methyl-1-propan-2-ylanthracene
CID 144739282
1,6-di(propan-2-yl)naphthalene
CID 3016596
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
ethane;7-methyl-1-propan-2-ylnaphthalene
CID 177009970
ethane;2-methyl-6-propan-2-ylnaphthalene;3-propan-2-ylnaphthalen-2-amine
CID 162748645
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
2-propan-2-ylpentacene
CID 153380535
methane;9-propan-2-ylanthracene;1-propan-2-ylpyrene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2-(4-propan-2-ylphenoxy)benzene;1,3,5-trimethyl-2-[3-propan-2-yl-5-(2,4,6-trimethylphenyl)phenyl]benzene
CID 160862958
ethane;2-propan-2-ylnaphthalene
CID 142226111
carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
CID 158874697
1-methyl-6-propan-2-ylnaphthalene
CID 58126565
ethane;3-methylnaphthalen-2-amine;2-methyl-6-propan-2-ylnaphthalene
CID 162748725

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene?
The IUPAC name of bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene (CID 160772436) is bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene.
What is the SMILES notation for bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene?
The canonical SMILES for bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene is CC(C)c1ccc2ccc3cccc4ccc1c2c34.CC(C)c1cccc2cc3ccccc3cc12.Cc1ccc2cc(C(C)C)ccc2c1.Cc1ccc2cc(C(C)C)ccc2c1.
What is the InChIKey of bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene?
The InChIKey is RZMOHGAOJIMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C17H16.2C14H16/c1-12(2)16-10-8-15-7-6-13-4-3-5-14-9-11-17(16)19(15)18(13)14;1-12(2)16-9-5-8-15-10-13-6-3-4-7-14(13)11-17(15)16;2*1-10(2)12-6-7-13-8-11(3)4-5-14(13)9-12/h3-12H,1-2H3;3-12H,1-2H3;2*4-10H,1-3H3.
What are the key properties of bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene?
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene has a molecular weight of 833.22 g/mol, XLogP of 19.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene is sourced from PubChem (CID 160772436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).