benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)

C272H426N10 — CID 159918770

IUPACbenzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1
InChIInChI=1S/13C10H8.2C6H6.5C4H4N2.20C4H10.15C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;5*1-2-5-4-6-3-1;20*1-4(2)3;15*1-2/h13*1-8H;2*1-6H;5*1-4H;20*4H,1-3H3;15*1-2H3
InChIKeyNYDBIRLLECZRDZ-UHFFFAOYSA-N
MW3836.47 g/mol
LogP91.31
Rot. Bonds

About benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)

benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine) (PubChem CID 159918770) has the molecular formula C272H426N10 and a molecular weight of 3836.47 g/mol. Its IUPAC name is benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine).

Molecular Properties

Compound Namebenzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)
PubChem CID159918770
Molecular FormulaC272H426N10
Molecular Weight3836.47 g/mol
Exact Mass3833.36
IUPAC Namebenzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1
InChIInChI=1S/13C10H8.2C6H6.5C4H4N2.20C4H10.15C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;5*1-2-5-4-6-3-1;20*1-4(2)3;15*1-2/h13*1-8H;2*1-6H;5*1-4H;20*4H,1-3H3;15*1-2H3
InChIKeyNYDBIRLLECZRDZ-UHFFFAOYSA-N
XLogP91.31
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms282
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003836.47
LogP ≤ 591.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)?
The IUPAC name of benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine) (CID 159918770) is benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine).
What is the SMILES notation for benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)?
The canonical SMILES for benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1.c1cncnc1.
What is the InChIKey of benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)?
The InChIKey is NYDBIRLLECZRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/13C10H8.2C6H6.5C4H4N2.20C4H10.15C2H6/c13*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-4-6-5-3-1;5*1-2-5-4-6-3-1;20*1-4(2)3;15*1-2/h13*1-8H;2*1-6H;5*1-4H;20*4H,1-3H3;15*1-2H3.
What are the key properties of benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine)?
benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine) has a molecular weight of 3836.47 g/mol, XLogP of 91.31, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;icosakis(2-methylpropane);naphthalene;pentakis(pyrimidine) is sourced from PubChem (CID 159918770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).