2,2-dimethylpropane;triphenylene

C23H24 — CID 143354437

IUPAC2,2-dimethylpropane;triphenylene
SMILESCC(C)(C)C.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C5H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-5(2,3)4/h1-12H;1-4H3
InChIKeyNILBYJFEIVZJRB-UHFFFAOYSA-N
MW300.44 g/mol
LogP7.20
Rot. Bonds

About 2,2-dimethylpropane;triphenylene

2,2-dimethylpropane;triphenylene (PubChem CID 143354437) has the molecular formula C23H24 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2,2-dimethylpropane;triphenylene.

Molecular Properties

Compound Name2,2-dimethylpropane;triphenylene
PubChem CID143354437
Molecular FormulaC23H24
Molecular Weight300.44 g/mol
Exact Mass300.19
IUPAC Name2,2-dimethylpropane;triphenylene
SMILESCC(C)(C)C.c1ccc2c(c1)c1ccccc1c1ccccc21
InChIInChI=1S/C18H12.C5H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-5(2,3)4/h1-12H;1-4H3
InChIKeyNILBYJFEIVZJRB-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;ethane;toluene;triphenylene
CID 163729298
2,2-dimethylpropane;naphthalene
CID 91188461
palladium;phosphane;tetrakis(triphenylene)
CID 175547767
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
benzene;tetrakis(2,2-dimethylpropane);ethane;naphthalene
CID 163997399
benzene;hexakis(2,2-dimethylpropane);ethane;naphthalene
CID 159135234
isocyanic acid;triphenylene
CID 172722620
isocyanic acid;triphenylene
CID 172793040
hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;methanethiol
CID 159766512
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
1-triphenylen-1-ylethane-1,1-diamine
CID 175146039
tert-butylbenzene;2,2-dimethylpropane;methane
CID 160959011

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;triphenylene?
The IUPAC name of 2,2-dimethylpropane;triphenylene (CID 143354437) is 2,2-dimethylpropane;triphenylene.
What is the SMILES notation for 2,2-dimethylpropane;triphenylene?
The canonical SMILES for 2,2-dimethylpropane;triphenylene is CC(C)(C)C.c1ccc2c(c1)c1ccccc1c1ccccc21.
What is the InChIKey of 2,2-dimethylpropane;triphenylene?
The InChIKey is NILBYJFEIVZJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12.C5H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-5(2,3)4/h1-12H;1-4H3.
What are the key properties of 2,2-dimethylpropane;triphenylene?
2,2-dimethylpropane;triphenylene has a molecular weight of 300.44 g/mol, XLogP of 7.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;triphenylene is sourced from PubChem (CID 143354437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).