benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)

C267H366O9S3 — CID 157173024

IUPACbenzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C15H14.10C10H8.12C6H6.3C3H6O.3C2H6O2S.25C2H6/c2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;3*1-3(2)4;3*1-5(2,3)4;25*1-2/h2*3-10H,1-2H3;10*1-8H;12*1-6H;3*1-2H3;3*1-2H3;25*1-2H3
InChIKeyANROJOPADCCDHX-UHFFFAOYSA-N
MW3816.06 g/mol
LogP83.05
Rot. Bonds

About benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)

benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one) (PubChem CID 157173024) has the molecular formula C267H366O9S3 and a molecular weight of 3816.06 g/mol. Its IUPAC name is benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one).

Molecular Properties

Compound Namebenzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)
PubChem CID157173024
Molecular FormulaC267H366O9S3
Molecular Weight3816.06 g/mol
Exact Mass3812.73
IUPAC Namebenzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/2C15H14.10C10H8.12C6H6.3C3H6O.3C2H6O2S.25C2H6/c2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;3*1-3(2)4;3*1-5(2,3)4;25*1-2/h2*3-10H,1-2H3;10*1-8H;12*1-6H;3*1-2H3;3*1-2H3;25*1-2H3
InChIKeyANROJOPADCCDHX-UHFFFAOYSA-N
XLogP83.05
TPSA153.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms279
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003816.06
LogP ≤ 583.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)?
The IUPAC name of benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one) (CID 157173024) is benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one).
What is the SMILES notation for benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)?
The canonical SMILES for benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.CC1(C)c2ccccc2-c2ccccc21.CC1(C)c2ccccc2-c2ccccc21.CS(C)(=O)=O.CS(C)(=O)=O.CS(C)(=O)=O.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.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(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)?
The InChIKey is ANROJOPADCCDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14.10C10H8.12C6H6.3C3H6O.3C2H6O2S.25C2H6/c2*1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;10*1-2-6-10-8-4-3-7-9(10)5-1;12*1-2-4-6-5-3-1;3*1-3(2)4;3*1-5(2,3)4;25*1-2/h2*3-10H,1-2H3;10*1-8H;12*1-6H;3*1-2H3;3*1-2H3;25*1-2H3.
What are the key properties of benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one)?
benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one) has a molecular weight of 3816.06 g/mol, XLogP of 83.05, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(9,9-dimethylfluorene);ethane;methylsulfonylmethane;naphthalene;tris(propan-2-one) is sourced from PubChem (CID 157173024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).