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

C80H100 — CID 161209991

IUPACbis(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
SMILESCC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccc(C(C)C)cc2c1
InChIInChI=1S/5C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16/h5*5-12H,1-4H3
InChIKeyUWCMGRRHZYSUIT-UHFFFAOYSA-N
MW1061.68 g/mol
LogP25.43
Rot. Bonds10

About 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

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 (PubChem CID 161209991) has the molecular formula C80H100 and a molecular weight of 1061.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID161209991
Molecular FormulaC80H100
Molecular Weight1061.68 g/mol
Exact Mass1060.78
IUPAC Namebis(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
SMILESCC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccc(C(C)C)cc2c1
InChIInChI=1S/5C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16/h5*5-12H,1-4H3
InChIKeyUWCMGRRHZYSUIT-UHFFFAOYSA-N
XLogP25.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.68
LogP ≤ 525.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
1,6-di(propan-2-yl)naphthalene
CID 3016596
2-propan-2-ylpentacene
CID 153380535
ethane;2-propan-2-ylnaphthalene
CID 142226111
carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
CID 158874697
2-propan-2-yl-1-(3-propan-2-ylnaphthalen-1-yl)naphthalene
CID 147001683
2,9-di(propan-2-yl)pentacene
CID 153380534
tetrakis(hexa-1,3,5-triyne);bis(penta-1,3-diyne);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);bis(prop-1-yne)
CID 167563670
bis(2-methyl-6-propan-2-ylnaphthalene);1-propan-2-ylanthracene;1-propan-2-ylpyrene
CID 160772436
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
6-propan-2-ylbenzo[a]anthracene
CID 90474215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1cc(C(C)C)c2ccccc2c1.CC(C)c1ccc(C(C)C)c2ccccc12.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccc(C(C)C)cc2c1.
What is the InChIKey of 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?
The InChIKey is UWCMGRRHZYSUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-11(2)14-7-5-13-6-8-15(12(3)4)10-16(13)9-14;2*1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4;1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16/h5*5-12H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1061.68 g/mol, XLogP of 25.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161209991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).