benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane

C244H380 — CID 158347647

IUPACbenzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
SMILESCC.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.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10.6C10H8.12C6H6.8C4H10.8C3H8.16C2H6/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;8*1-4(2)3;8*1-3-2;16*1-2/h2*1-10H;6*1-8H;12*1-6H;8*4H,1-3H3;8*3H2,1-2H3;16*1-2H3
InChIKeyGRXVCSGGWVBOCM-UHFFFAOYSA-N
MW3313.72 g/mol
LogP85.03
Rot. Bonds2

About benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane

benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane (PubChem CID 158347647) has the molecular formula C244H380 and a molecular weight of 3313.72 g/mol. Its IUPAC name is benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane.

Molecular Properties

Compound Namebenzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
PubChem CID158347647
Molecular FormulaC244H380
Molecular Weight3313.72 g/mol
Exact Mass3310.97
IUPAC Namebenzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane
SMILESCC.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.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C12H10.6C10H8.12C6H6.8C4H10.8C3H8.16C2H6/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;8*1-4(2)3;8*1-3-2;16*1-2/h2*1-10H;6*1-8H;12*1-6H;8*4H,1-3H3;8*3H2,1-2H3;16*1-2H3
InChIKeyGRXVCSGGWVBOCM-UHFFFAOYSA-N
XLogP85.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003313.72
LogP ≤ 585.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane?
The IUPAC name of benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane (CID 158347647) is benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane.
What is the SMILES notation for benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane?
The canonical SMILES for benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane is CC.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.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane?
The InChIKey is GRXVCSGGWVBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H10.6C10H8.12C6H6.8C4H10.8C3H8.16C2H6/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;6*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;8*1-4(2)3;8*1-3-2;16*1-2/h2*1-10H;6*1-8H;12*1-6H;8*4H,1-3H3;8*3H2,1-2H3;16*1-2H3.
What are the key properties of benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane?
benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane has a molecular weight of 3313.72 g/mol, XLogP of 85.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1,1'-biphenyl);ethane;octakis(2-methylpropane);naphthalene;propane is sourced from PubChem (CID 158347647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).